 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer04_STD_wB97XD_augccpVDZ.in
 Output=22_phenylethanamine_conformer04_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-5821.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5827.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer04_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer04_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.015699000000     -1.138132000000     -0.153815000000
  C                                                 0.638227000000     -1.184978000000     -0.311533000000
  C                                                -0.141832000000     -0.032477000000     -0.189620000000
  C                                                 0.500424000000      1.172188000000      0.084373000000
  C                                                 1.881262000000      1.221600000000      0.250761000000
  C                                                 2.644485000000      0.068526000000      0.135177000000
  C                                                -1.649929000000     -0.124479000000     -0.356486000000
  N                                                -2.274918000000      1.199425000000     -0.317152000000
  C                                                -2.260426000000     -1.102776000000      0.659981000000
  H                                                -2.265656000000      1.564094000000      0.630511000000
  H                                                -1.839228000000     -0.517618000000     -1.360895000000
  H                                                -2.090423000000     -0.739339000000      1.676400000000
  H                                                -1.826100000000     -2.100418000000      0.585451000000
  H                                                -3.337367000000     -1.189506000000      0.500207000000
  H                                                -0.079749000000      2.081767000000      0.140221000000
  H                                                 2.359886000000      2.169228000000      0.463823000000
  H                                                 3.718801000000      0.107980000000      0.260806000000
  H                                                 2.599874000000     -2.043659000000     -0.258670000000
  H                                                 0.164968000000     -2.131705000000     -0.542207000000
  H                                                -3.248037000000      1.126363000000     -0.588600000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.387263   0.000000
     3  C    2.424602   1.397002   0.000000
     4  C    2.773152   2.394152   1.392402   0.000000
     5  C    2.397935   2.766393   2.420652   1.391704   0.000000
     6  C    1.391011   2.407466   2.807001   2.411980   1.387605
     7  C    3.808595   2.522367   1.520087   2.549455   3.827530
     8  N    4.888788   3.764548   2.466557   2.804369   4.194860
     9  C    4.353017   3.058232   2.521072   3.623407   4.766945
    10  H    5.123201   4.108209   2.780698   2.846587   4.178330
    11  H    4.086874   2.772059   2.118584   3.227726   4.411843
    12  H    4.513198   3.405290   2.789031   3.591793   4.653172
    13  H    4.028887   2.777682   2.777386   4.046448   4.989224
    14  H    5.393116   4.057621   3.467855   4.525390   5.754107
    15  H    3.852935   3.375084   2.140719   1.080303   2.144218
    16  H    3.382096   3.849154   3.396040   2.143751   1.082809
    17  H    2.150642   3.389579   3.889357   3.394351   2.148674
    18  H    1.082698   2.142005   3.400966   3.855780   3.381988
    19  H    2.136174   1.083271   2.150628   3.379474   3.849561
    20  H    5.746642   4.530134   3.339252   3.808668   5.198394
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.326774   0.000000
     8  N    5.067944   1.464541   0.000000
     9  C    5.070061   1.537198   2.501025   0.000000
    10  H    5.156701   2.050503   1.015448   2.667038   0.000000
    11  H    4.762928   1.095094   2.056079   2.145637   2.912227
    12  H    5.044538   2.169035   2.786951   1.092747   2.535822
    13  H    4.989308   2.196046   3.450376   1.090634   3.691055
    14  H    6.123597   2.171555   2.739318   1.092178   2.957678
    15  H    3.387420   2.753126   2.409665   3.894460   2.299252
    16  H    2.145216   4.691760   4.799151   5.664960   4.667934
    17  H    1.082356   5.409099   6.119637   6.113626   6.170144
    18  H    2.149054   4.664080   5.855306   5.035047   6.122084
    19  H    3.383470   2.712434   4.135229   2.895943   4.576257
    20  H    6.030314   2.042653   1.012908   2.739232   1.625704
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.055719   0.000000
    13  H    2.508723   1.764248   0.000000
    14  H    2.481845   1.772272   1.766623   0.000000
    15  H    3.479356   3.789630   4.553970   4.630647   0.000000
    16  H    5.308606   5.453013   5.980564   6.613706   2.462557
    17  H    5.823485   6.038952   5.977319   7.178460   4.282448
    18  H    4.821756   5.238762   4.506108   6.046181   4.935447
    19  H    2.700431   3.456543   2.288437   3.773687   4.275388
    20  H    2.298664   3.154543   3.716506   2.560611   3.388514
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477218   0.000000
    18  H    4.281122   2.480202   0.000000
    19  H    4.932321   4.276768   2.452940   0.000000
    20  H    5.800342   7.091927   6.660027   4.718661   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.41D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4178168           1.1702025           0.9286938
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3718298430 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0114773346 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.3603525084 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.69D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer04_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               3.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.143435509090    
 DIIS: error= 2.19D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.143435509090     IErMin= 1 ErrMin= 2.19D-03
 ErrMax= 2.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-03 BMatP= 4.60D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.19D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 GapD=    0.376 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.17D-02 MaxDP=3.34D+00              OVMax= 1.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.31D-02    CP:  1.55D+00
 E= -366.147287074666     Delta-E=       -0.003851565576 Rises=F Damp=F
 DIIS: error= 2.24D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.147287074666     IErMin= 2 ErrMin= 2.24D-04
 ErrMax= 2.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-05 BMatP= 4.60D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.24D-03
 Coeff-Com: -0.648D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.647D-01 0.106D+01
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=8.61D-03 MaxDP=5.70D-01 DE=-3.85D-03 OVMax= 5.11D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.22D-03    CP:  1.64D+00  1.16D+00
 E= -366.147408325437     Delta-E=       -0.000121250771 Rises=F Damp=F
 DIIS: error= 9.85D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.147408325437     IErMin= 3 ErrMin= 9.85D-05
 ErrMax= 9.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.83D-06 BMatP= 5.67D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.195D-01 0.190D+00 0.829D+00
 Coeff:     -0.195D-01 0.190D+00 0.829D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=5.77D-04 MaxDP=3.68D-02 DE=-1.21D-04 OVMax= 1.31D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.36D-04    CP:  1.64D+00  1.17D+00  1.11D+00
 E= -366.147417376268     Delta-E=       -0.000009050831 Rises=F Damp=F
 DIIS: error= 4.62D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.147417376268     IErMin= 4 ErrMin= 4.62D-05
 ErrMax= 4.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-06 BMatP= 6.83D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.217D-02-0.809D-01 0.283D+00 0.796D+00
 Coeff:      0.217D-02-0.809D-01 0.283D+00 0.796D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.68D-04 MaxDP=8.95D-03 DE=-9.05D-06 OVMax= 6.05D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.99D-05    CP:  1.65D+00  1.18D+00  1.17D+00  1.31D+00
 E= -366.147419782750     Delta-E=       -0.000002406481 Rises=F Damp=F
 DIIS: error= 1.32D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.147419782750     IErMin= 5 ErrMin= 1.32D-05
 ErrMax= 1.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-07 BMatP= 1.78D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.216D-02-0.412D-01 0.280D-01 0.273D+00 0.738D+00
 Coeff:      0.216D-02-0.412D-01 0.280D-01 0.273D+00 0.738D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.87D-05 MaxDP=1.11D-03 DE=-2.41D-06 OVMax= 2.42D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.29D-05    CP:  1.65D+00  1.18D+00  1.17D+00  1.45D+00  1.17D+00
 E= -366.147420003601     Delta-E=       -0.000000220851 Rises=F Damp=F
 DIIS: error= 4.63D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.147420003601     IErMin= 6 ErrMin= 4.63D-06
 ErrMax= 4.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-08 BMatP= 1.55D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.532D-03-0.506D-02-0.228D-01 0.431D-02 0.280D+00 0.743D+00
 Coeff:      0.532D-03-0.506D-02-0.228D-01 0.431D-02 0.280D+00 0.743D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.98D-05 MaxDP=1.29D-03 DE=-2.21D-07 OVMax= 7.33D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.85D-06    CP:  1.65D+00  1.18D+00  1.17D+00  1.49D+00  1.24D+00
                    CP:  1.14D+00
 E= -366.147420038110     Delta-E=       -0.000000034509 Rises=F Damp=F
 DIIS: error= 1.21D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.147420038110     IErMin= 7 ErrMin= 1.21D-06
 ErrMax= 1.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-09 BMatP= 2.30D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.148D-03 0.407D-02-0.933D-02-0.378D-01-0.265D-01 0.172D+00
 Coeff-Com:  0.897D+00
 Coeff:     -0.148D-03 0.407D-02-0.933D-02-0.378D-01-0.265D-01 0.172D+00
 Coeff:      0.897D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=8.79D-06 MaxDP=5.18D-04 DE=-3.45D-08 OVMax= 3.96D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.32D-06    CP:  1.65D+00  1.18D+00  1.17D+00  1.51D+00  1.27D+00
                    CP:  1.27D+00  1.05D+00
 E= -366.147420041579     Delta-E=       -0.000000003469 Rises=F Damp=F
 DIIS: error= 5.32D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.147420041579     IErMin= 8 ErrMin= 5.32D-07
 ErrMax= 5.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-10 BMatP= 1.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.861D-04 0.182D-02-0.209D-02-0.154D-01-0.292D-01 0.152D-01
 Coeff-Com:  0.377D+00 0.653D+00
 Coeff:     -0.861D-04 0.182D-02-0.209D-02-0.154D-01-0.292D-01 0.152D-01
 Coeff:      0.377D+00 0.653D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=4.59D-07 MaxDP=1.36D-05 DE=-3.47D-09 OVMax= 8.99D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.09D-07    CP:  1.65D+00  1.18D+00  1.17D+00  1.51D+00  1.27D+00
                    CP:  1.28D+00  1.09D+00  1.10D+00
 E= -366.147420041977     Delta-E=       -0.000000000398 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.147420041977     IErMin= 9 ErrMin= 1.36D-07
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-11 BMatP= 3.00D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.425D-05-0.271D-03 0.121D-02 0.322D-02-0.142D-02-0.273D-01
 Coeff-Com: -0.768D-01 0.990D-01 0.100D+01
 Coeff:      0.425D-05-0.271D-03 0.121D-02 0.322D-02-0.142D-02-0.273D-01
 Coeff:     -0.768D-01 0.990D-01 0.100D+01
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=6.72D-07 MaxDP=3.70D-05 DE=-3.98D-10 OVMax= 5.16D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.39D-07    CP:  1.65D+00  1.18D+00  1.17D+00  1.50D+00  1.27D+00
                    CP:  1.28D+00  1.10D+00  1.17D+00  1.33D+00
 E= -366.147420041988     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 4.58D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.147420041988     IErMin=10 ErrMin= 4.58D-08
 ErrMax= 4.58D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-12 BMatP= 1.83D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.862D-05-0.224D-03 0.503D-03 0.213D-02 0.197D-02-0.772D-02
 Coeff-Com: -0.496D-01-0.287D-01 0.271D+00 0.811D+00
 Coeff:      0.862D-05-0.224D-03 0.503D-03 0.213D-02 0.197D-02-0.772D-02
 Coeff:     -0.496D-01-0.287D-01 0.271D+00 0.811D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.66D-07 MaxDP=9.37D-06 DE=-1.18D-11 OVMax= 1.17D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.07D-08    CP:  1.65D+00  1.18D+00  1.17D+00  1.50D+00  1.27D+00
                    CP:  1.28D+00  1.09D+00  1.17D+00  1.38D+00  1.16D+00
 E= -366.147420042070     Delta-E=       -0.000000000082 Rises=F Damp=F
 DIIS: error= 1.95D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -366.147420042070     IErMin=11 ErrMin= 1.95D-08
 ErrMax= 1.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-13 BMatP= 1.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-05-0.190D-04-0.439D-04 0.788D-04 0.585D-03 0.209D-02
 Coeff-Com: -0.204D-02-0.239D-01-0.642D-01 0.189D+00 0.898D+00
 Coeff:      0.148D-05-0.190D-04-0.439D-04 0.788D-04 0.585D-03 0.209D-02
 Coeff:     -0.204D-02-0.239D-01-0.642D-01 0.189D+00 0.898D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=3.16D-08 MaxDP=1.46D-06 DE=-8.17D-11 OVMax= 5.07D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.51D-08    CP:  1.65D+00  1.18D+00  1.17D+00  1.50D+00  1.27D+00
                    CP:  1.28D+00  1.09D+00  1.16D+00  1.40D+00  1.24D+00
                    CP:  1.17D+00
 E= -366.147420042003     Delta-E=        0.000000000067 Rises=F Damp=F
 DIIS: error= 9.16D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -366.147420042070     IErMin=12 ErrMin= 9.16D-09
 ErrMax= 9.16D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.26D-14 BMatP= 2.69D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.773D-06 0.260D-04-0.811D-04-0.273D-03-0.137D-03 0.176D-02
 Coeff-Com:  0.633D-02-0.409D-02-0.546D-01-0.668D-01 0.267D+00 0.850D+00
 Coeff:     -0.773D-06 0.260D-04-0.811D-04-0.273D-03-0.137D-03 0.176D-02
 Coeff:      0.633D-02-0.409D-02-0.546D-01-0.668D-01 0.267D+00 0.850D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.61D-08 MaxDP=7.33D-07 DE= 6.72D-11 OVMax= 2.26D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.34D-09    CP:  1.65D+00  1.18D+00  1.17D+00  1.50D+00  1.27D+00
                    CP:  1.28D+00  1.09D+00  1.16D+00  1.39D+00  1.26D+00
                    CP:  1.28D+00  1.10D+00
 E= -366.147420042019     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 2.87D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -366.147420042070     IErMin=13 ErrMin= 2.87D-09
 ErrMax= 2.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.17D-15 BMatP= 4.26D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.385D-06 0.102D-04-0.220D-04-0.955D-04-0.105D-03 0.381D-03
 Coeff-Com:  0.225D-02 0.855D-03-0.109D-01-0.402D-01 0.166D-02 0.273D+00
 Coeff-Com:  0.773D+00
 Coeff:     -0.385D-06 0.102D-04-0.220D-04-0.955D-04-0.105D-03 0.381D-03
 Coeff:      0.225D-02 0.855D-03-0.109D-01-0.402D-01 0.166D-02 0.273D+00
 Coeff:      0.773D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=6.07D-09 MaxDP=3.25D-07 DE=-1.56D-11 OVMax= 8.19D-08

 SCF Done:  E(RwB97XD) =  -366.147420042     A.U. after   13 cycles
            NFock= 13  Conv=0.61D-08     -V/T= 2.0062
 KE= 3.638908403154D+02 PE=-1.699909369718D+03 EE= 5.445107568520D+02
 Leave Link  502 at Fri Aug 13 10:51:50 2021, MaxMem=  5368709120 cpu:            2222.8 elap:             278.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.13154464D+03

 Leave Link  801 at Fri Aug 13 10:51:50 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.51D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 2.07D-01 6.31D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 3.75D-02 5.07D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.03D-03 1.23D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 2.24D-04 2.67D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 1.05D-05 4.00D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 4.71D-07 1.31D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 1.33D-08 2.32D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 3.18D-10 3.45D-06.
      9 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 6.00D-12 3.52D-07.
      6 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 1.24D-13 5.72D-08.
      1 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 6.07D-15 8.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.136072D+03
      2  0.823255D+00  0.112437D+03
      3  0.225005D+01  0.404126D+01  0.756063D+02
 Isotropic polarizability for W=    0.085645      108.04 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.668901D+02  0.288477D+01  0.772227D+01
      2  -0.284816D+02 -0.672795D+01 -0.123241D+02
      3  -0.384084D+02  0.384318D+01  0.460180D+01
      4  -0.137736D+02  0.515770D+02  0.269621D+02
      5   0.201897D+02  0.286247D+02 -0.191176D+02
      6   0.904042D+01  0.618861D+01 -0.691062D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.548230D+00 -0.480627D+00  0.246874D+01
      2   0.121506D+02  0.115743D+02 -0.703139D+01
      3   0.600388D+00 -0.309975D+02 -0.118248D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.166255D+01  0.185127D+02  0.107538D+02
      2  -0.124674D+02  0.179217D+02  0.192909D+02
      3  -0.166584D+02 -0.800586D+02 -0.195843D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.290388D+00 -0.216184D+01 -0.150535D+01
      2  -0.216184D+01 -0.170608D+01  0.191124D+01
      3  -0.150535D+01  0.191124D+01  0.616964D+00
 OR G Eigenvalues:    -3.3114    -1.0282     3.5409  Iso=     0.2662
 Eigenvectors:
   (1)   0.411834   0.871512  -0.266195
   (2)   0.676055  -0.096338   0.730526
   (3)  -0.611018   0.480818   0.628866
 w=    0.085645 a.u., Optical Rotation Beta=      0.2662 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      104.20 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 2.10D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.99D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 3.67D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 4.30D-02 3.01D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 1.30D-03 6.23D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 1.42D-05 6.37D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 1.89D-07 6.36D-05.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 2.13D-09 6.46D-06.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 2.15D-11 5.51D-07.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 2.20D-13 4.30D-08.
      9 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 3.51D-15 1.55D-08.
      2 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 6.32D-16 3.49D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   251 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 7.72D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 7.72D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.73D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136072D+03  0.823255D+00  0.225005D+01
      2   0.823255D+00  0.112437D+03  0.404126D+01
      3   0.225005D+01  0.404126D+01  0.756063D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.548230D+00 -0.480627D+00  0.246874D+01
      2   0.121506D+02  0.115743D+02 -0.703139D+01
      3   0.600388D+00 -0.309975D+02 -0.118248D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.668901D+02  0.288477D+01  0.772227D+01
      2  -0.284816D+02 -0.672795D+01 -0.123241D+02
      3  -0.384084D+02  0.384318D+01  0.460180D+01
      4  -0.137736D+02  0.515770D+02  0.269621D+02
      5   0.201897D+02  0.286247D+02 -0.191176D+02
      6   0.904042D+01  0.618861D+01 -0.691062D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.278309D+01 -0.394963D+00 -0.537524D+00 -0.627358D+01 -0.224152D+00
      2  -0.394963D+00  0.312308D+01  0.856848D+00 -0.224152D+00 -0.104713D+01
      3  -0.537524D+00  0.856848D+00  0.176667D+01 -0.853500D+00  0.103292D+01
                 6             7             8             9            10 
      1  -0.853500D+00 -0.211023D+01 -0.207581D+00  0.296267D+01  0.383669D+01
      2   0.103292D+01 -0.207581D+00  0.145803D+01 -0.348521D+01  0.210376D+01
      3  -0.247884D+01  0.296267D+01 -0.348521D+01 -0.123119D+01  0.638657D+00
                11            12            13            14            15 
      1   0.210376D+01  0.638657D+00 -0.717871D+01 -0.862402D+00  0.130187D+00
      2  -0.351604D+01  0.118016D+00 -0.862402D+00 -0.183744D+01  0.878433D+00
      3   0.118016D+00 -0.151237D+01  0.130187D+00  0.878433D+00 -0.155849D+01
                16            17            18            19            20 
      1  -0.108699D+00  0.857743D+00 -0.811801D+00 -0.171906D+02 -0.251180D+01
      2   0.857743D+00  0.412032D+00 -0.331575D+01 -0.251180D+01 -0.271378D+01
      3  -0.811801D+00 -0.331575D+01 -0.232632D+01 -0.768548D+00 -0.268920D+00
                21            22            23            24            25 
      1  -0.768548D+00 -0.323469D+01  0.169245D+01  0.107542D+01 -0.719061D+00
      2  -0.268920D+00  0.169245D+01  0.608154D-03  0.419298D-01  0.898601D+00
      3  -0.202674D+01  0.107542D+01  0.419298D-01 -0.437059D+00 -0.369602D+01
                26            27            28            29            30 
      1   0.898601D+00 -0.369602D+01  0.539798D+01 -0.988878D+00  0.402175D+00
      2   0.877218D-01 -0.496977D+00 -0.988878D+00 -0.381338D+01 -0.910700D+00
      3  -0.496977D+00 -0.139726D+01  0.402175D+00 -0.910700D+00 -0.218789D+01
                31            32            33            34            35 
      1   0.874303D+01 -0.173801D+00  0.889531D-01  0.285637D+01 -0.207482D+00
      2  -0.173801D+00  0.201208D+01 -0.449153D+00 -0.207482D+00 -0.100365D+01
      3   0.889531D-01 -0.449153D+00  0.194008D+01 -0.168457D+01  0.346187D+01
                36            37            38            39            40 
      1  -0.168457D+01 -0.370441D+01 -0.155993D+00 -0.561565D+00  0.561063D+01
      2   0.346187D+01 -0.155993D+00  0.326480D+01 -0.154728D+00  0.210360D+00
      3   0.930090D+00 -0.561565D+00 -0.154728D+00  0.112793D+01 -0.162769D+00
                41            42            43            44            45 
      1   0.210360D+00 -0.162769D+00  0.228332D+00 -0.903531D+00  0.230588D+01
      2   0.138062D+01 -0.853128D+00 -0.903531D+00 -0.752278D+00  0.390312D+01
      3  -0.853128D+00  0.241569D+01  0.230588D+01  0.390312D+01  0.250474D+01
                46            47            48            49            50 
      1   0.667479D+01  0.333405D+00 -0.597833D+00  0.964605D+00 -0.983644D+00
      2   0.333405D+00  0.337512D+01  0.317490D-01 -0.983644D+00 -0.917240D-01
      3  -0.597833D+00  0.317490D-01  0.320719D+01 -0.121418D+01 -0.347589D+00
                51            52            53            54            55 
      1  -0.121418D+01 -0.333814D+00 -0.115877D+01  0.546272D+01  0.354823D+01
      2  -0.347589D+00 -0.115877D+01  0.324070D+00  0.746046D-01  0.192365D+01
      3  -0.844979D-01  0.546272D+01  0.746046D-01  0.129076D+01 -0.523277D-02
                56            57            58            59            60 
      1   0.192365D+01 -0.523277D-02  0.645952D+01  0.467423D+01 -0.121571D+01
      2   0.321526D+01 -0.159323D+01  0.467423D+01  0.701305D+00 -0.350101D+00
      3  -0.159323D+01  0.198459D+01 -0.121571D+01 -0.350101D+00  0.419711D+01
                61            62            63            64            65 
      1   0.692224D-01 -0.177475D+01  0.364760D+01  0.927263D+01  0.473770D+00
      2  -0.177475D+01 -0.223183D+01  0.424253D+01  0.473770D+00 -0.158434D+01
      3   0.364760D+01  0.424253D+01  0.500929D+01  0.126980D+01  0.121290D+01
                66            67            68            69            70 
      1   0.126980D+01  0.602702D+00 -0.230335D+01  0.164479D+01  0.184418D+01
      2   0.121290D+01 -0.230335D+01  0.266826D+01 -0.126008D+01  0.136738D+01
      3  -0.172028D+00  0.164479D+01 -0.126008D+01 -0.228764D+01  0.934123D-01
                71            72            73            74            75 
      1   0.136738D+01  0.934123D-01  0.879308D+01  0.915868D+00  0.171962D+01
      2  -0.938120D+00 -0.159490D+01  0.915868D+00 -0.400671D+01  0.135650D+01
      3  -0.159490D+01 -0.472126D+01  0.171962D+01  0.135650D+01 -0.197580D+01
                76            77            78            79            80 
      1  -0.278851D+01 -0.408199D+01  0.176709D+01  0.494732D+01  0.234234D+01
      2  -0.408199D+01  0.300330D+01  0.730054D+00  0.234234D+01  0.235097D+01
      3   0.176709D+01  0.730054D+00 -0.340085D+01 -0.210130D+01 -0.337969D+01
                81            82            83            84            85 
      1  -0.210130D+01  0.101591D-01  0.395283D+00  0.404392D+00  0.119658D+01
      2  -0.337969D+01  0.395283D+00  0.104117D+00 -0.259075D+00 -0.726276D+00
      3  -0.425517D+01  0.404392D+00 -0.259075D+00  0.393145D+00 -0.765942D+00
                86            87            88            89            90 
      1  -0.726276D+00 -0.765942D+00  0.208346D+01 -0.112259D+01 -0.102170D+01
      2   0.218864D+01  0.979452D+00 -0.112259D+01  0.228329D+01  0.257307D+01
      3   0.979452D+00  0.264442D+01 -0.102170D+01  0.257307D+01  0.484150D+01
                91            92            93            94            95 
      1  -0.192402D+01 -0.695150D+00 -0.162204D+01 -0.265234D+01 -0.162742D+01
      2  -0.695150D+00 -0.724772D+00 -0.217705D+00 -0.162742D+01 -0.127040D+01
      3  -0.162204D+01 -0.217705D+00 -0.141355D+01 -0.549507D+00 -0.140432D+01
                96            97            98            99           100 
      1  -0.549507D+00 -0.423007D+01 -0.503072D+00 -0.283279D+01 -0.407008D+00
      2  -0.140432D+01 -0.503072D+00 -0.144889D+01 -0.197583D+01  0.350513D-01
      3  -0.224975D+01 -0.283279D+01 -0.197583D+01 -0.722311D+01  0.609268D+00
               101           102           103           104           105 
      1   0.350513D-01  0.609268D+00  0.969236D+00  0.212847D+00 -0.503141D+00
      2   0.588716D+00 -0.142679D+00  0.212847D+00  0.341262D+00  0.887638D+00
      3  -0.142679D+00  0.107145D+01 -0.503141D+00  0.887638D+00  0.222264D+01
               106           107           108           109           110 
      1   0.121161D+01  0.118889D+00 -0.514208D+00  0.689779D+00 -0.837435D+00
      2   0.118889D+00  0.133738D+01  0.501036D+00 -0.837435D+00  0.211148D+01
      3  -0.514208D+00  0.501036D+00  0.714139D+01 -0.300850D+00 -0.470259D+00
               111           112           113           114           115 
      1  -0.300850D+00 -0.188284D+01  0.770739D+00  0.932623D-01 -0.626875D+00
      2  -0.470259D+00  0.770739D+00 -0.816219D+01  0.726007D+00 -0.300062D+00
      3   0.656119D+00  0.932623D-01  0.726007D+00 -0.114924D+01  0.268162D+00
               116           117           118           119           120 
      1  -0.300062D+00  0.268162D+00 -0.128891D+02 -0.249542D+01  0.670923D-01
      2  -0.234504D+00 -0.628918D+00 -0.249542D+01 -0.146072D+01  0.156024D+00
      3  -0.628918D+00  0.413929D+00  0.670923D-01  0.156024D+00 -0.118334D+01
               121           122           123           124           125 
      1  -0.655259D+00 -0.109990D+01 -0.198415D+00 -0.233314D+01 -0.493304D+00
      2  -0.109990D+01 -0.988218D+00 -0.591821D-01 -0.493304D+00 -0.650246D+00
      3  -0.198415D+00 -0.591821D-01  0.207474D+00 -0.100446D+01 -0.107980D-02
               126           127           128           129           130 
      1  -0.100446D+01 -0.582497D+01  0.221641D+01 -0.318674D+00  0.182921D+01
      2  -0.107980D-02  0.221641D+01 -0.221243D+01 -0.183979D+00 -0.254252D+01
      3   0.299762D-01 -0.318674D+00 -0.183979D+00 -0.113807D+00 -0.245663D+00
               131           132           133           134           135 
      1  -0.254252D+01 -0.245663D+00 -0.795114D+00 -0.320786D-01  0.753122D-02
      2   0.657093D+01  0.478158D+00 -0.320786D-01  0.434517D+00  0.279698D-01
      3   0.478158D+00  0.714154D+00  0.753122D-02  0.279698D-01 -0.649937D-01
               136           137           138           139           140 
      1   0.282780D+01  0.293295D+01  0.727613D+00  0.270824D+01  0.407072D+01
      2   0.293295D+01  0.312023D+01  0.745479D+00  0.407072D+01  0.847948D+01
      3   0.727613D+00  0.745479D+00  0.544113D+00  0.837548D+00  0.163129D+01
               141           142           143           144           145 
      1   0.837548D+00  0.748427D+00  0.991243D+00  0.230310D+00  0.131038D+02
      2   0.163129D+01  0.991243D+00  0.177656D+01  0.273820D+00  0.376953D+00
      3   0.105494D+01  0.230310D+00  0.273820D+00  0.185375D+00  0.129803D+01
               146           147           148           149           150 
      1   0.376953D+00  0.129803D+01  0.292497D+00  0.153621D+01  0.348465D+00
      2   0.722832D+00  0.244900D-01  0.153621D+01  0.137906D+00  0.158734D+00
      3   0.244900D-01  0.921931D+00  0.348465D+00  0.158734D+00  0.992477D-01
               151           152           153           154           155 
      1   0.157253D+01  0.366296D+00 -0.259212D-01  0.392272D+01 -0.348997D+01
      2   0.366296D+00  0.901241D-01  0.271036D-01 -0.348997D+01  0.347695D+01
      3  -0.259212D-01  0.271036D-01  0.110987D+00 -0.322987D+00  0.281502D+00
               156           157           158           159           160 
      1  -0.322987D+00 -0.335182D+01  0.443693D+01  0.631555D+00 -0.255448D+00
      2   0.281502D+00  0.443693D+01 -0.739357D+01 -0.900741D+00  0.436133D+00
      3   0.458051D+00  0.631555D+00 -0.900741D+00 -0.783095D+00 -0.116449D-01
               161           162           163           164           165 
      1   0.436133D+00 -0.116449D-01 -0.216464D+01 -0.192545D+01 -0.369305D+00
      2  -0.102611D+01 -0.120551D+00 -0.192545D+01 -0.201117D+01 -0.630936D+00
      3  -0.120551D+00 -0.120693D+00 -0.369305D+00 -0.630936D+00 -0.369793D+00
               166           167           168           169           170 
      1  -0.187951D+01 -0.238115D+01 -0.515674D+00 -0.500127D+00 -0.729125D+00
      2  -0.238115D+01 -0.712508D+01 -0.166078D+01 -0.729125D+00 -0.166001D+01
      3  -0.515674D+00 -0.166078D+01 -0.109437D+01 -0.160964D+00 -0.456770D+00
               171           172           173           174           175 
      1  -0.160964D+00 -0.111898D+02  0.178796D+01 -0.173210D+01  0.521035D+00
      2  -0.456770D+00  0.178796D+01 -0.105925D+01  0.487063D-01 -0.597884D+00
      3  -0.319259D+00 -0.173210D+01  0.487063D-01 -0.117585D+01 -0.392770D+00
               176           177           178           179           180 
      1  -0.597884D+00 -0.392770D+00 -0.354888D+01  0.537241D-01 -0.111290D+01
      2   0.431359D+00 -0.259539D+00  0.537241D-01 -0.609044D+00  0.370565D+00
      3  -0.259539D+00  0.280715D-01 -0.111290D+01  0.370565D+00 -0.798770D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111443D+01 -0.390643D+00  0.315402D+01 -0.127817D+01  0.415605D+00
      2  -0.730704D+00  0.256330D+01  0.211070D+01 -0.810059D+00  0.337691D+01
      3  -0.177317D+01 -0.141312D+02 -0.247511D+01  0.397991D+01 -0.714336D+00
                 6             7             8             9            10 
      1  -0.287380D+01  0.680888D+01  0.268611D+01  0.973371D+00 -0.397761D-01
      2  -0.663836D+01 -0.548723D+01 -0.102714D+02 -0.378932D+01  0.322433D+01
      3  -0.239481D+01 -0.215064D+00 -0.444627D+01  0.393793D+01  0.132735D-02
                11            12            13            14            15 
      1   0.111447D+01 -0.279605D+01  0.122252D+01 -0.711757D+00 -0.292693D+01
      2   0.143521D+01 -0.140901D+01  0.110500D+01 -0.156761D+01 -0.142286D+01
      3  -0.841040D+00 -0.152325D+01  0.114302D+01  0.788094D+01  0.221106D+00
                16            17            18            19            20 
      1  -0.555138D+01  0.214435D+01 -0.971516D+00  0.790448D+00 -0.630934D+00
      2  -0.135498D+02 -0.112926D+01 -0.261921D+01  0.170453D+00 -0.152160D+01
      3  -0.459157D+01 -0.433182D-01  0.586208D+01 -0.677595D+01  0.747007D+01
                21            22            23            24            25 
      1  -0.774958D+00 -0.296179D+01 -0.145840D+01  0.165087D+01  0.107725D+01
      2  -0.159502D+01 -0.162165D+01  0.549117D+00  0.752426D+00 -0.135305D+02
      3   0.569702D+00  0.155619D+02  0.392055D-01  0.404660D+00 -0.214364D-01
                26            27            28            29            30 
      1   0.104819D+02  0.216248D+01 -0.125047D+01 -0.209625D+00  0.342162D+01
      2   0.639441D+00 -0.668118D+00  0.236353D+01 -0.225860D+00 -0.124256D+01
      3   0.277544D+01 -0.888885D+00  0.904788D+01 -0.384865D+00  0.189555D+01
                31            32            33            34            35 
      1  -0.911409D+00 -0.134277D+00 -0.277463D+01  0.501750D+01  0.213050D+01
      2   0.356245D+01  0.125384D+01  0.706025D+00 -0.130259D+02  0.341694D+00
      3   0.704508D+01 -0.611552D+01  0.117244D+00  0.238639D+01 -0.141187D+00
                36            37            38            39            40 
      1   0.393909D-01  0.998523D+00  0.624970D+00 -0.202229D+01  0.109098D+01
      2  -0.337496D+00 -0.123464D+00  0.121132D+01 -0.599715D-01  0.859389D+00
      3  -0.518598D+01 -0.316285D+01 -0.105808D+02 -0.220718D+01  0.507290D+01
                41            42            43            44            45 
      1   0.136743D+00 -0.347494D+01 -0.557883D+01  0.180049D+01 -0.137707D+01
      2  -0.295594D+01  0.690091D+01 -0.761934D+01  0.982818D+01  0.378700D+01
      3  -0.254234D+01  0.174130D+01 -0.640333D+00  0.110398D+01 -0.522922D+01
                46            47            48            49            50 
      1   0.175630D+00 -0.833831D+00 -0.668863D+00 -0.136080D+01 -0.281032D+01
      2  -0.306182D+00 -0.369459D+00  0.950132D+01 -0.364312D+01 -0.362025D+00
      3   0.669615D+00 -0.787906D+01  0.478739D+00  0.119423D+02  0.344259D+01
                51            52            53            54            55 
      1   0.303721D+01 -0.955320D+00  0.112280D+02  0.262859D+01 -0.194116D+01
      2  -0.601044D+00  0.888761D+01  0.420614D+00  0.274259D+01  0.159476D+01
      3   0.200177D+01  0.348132D+01  0.114499D+01  0.111560D+01  0.670951D+01
                56            57            58            59            60 
      1  -0.215800D+00  0.146714D+00 -0.239441D+01 -0.954503D+00  0.153413D+01
      2   0.284008D+01 -0.254470D+01  0.391095D+01  0.247836D+01 -0.635574D+01
      3   0.383758D+01 -0.197959D+01  0.131706D+02 -0.470457D+01  0.809365D+00
                61            62            63            64            65 
      1   0.413823D+01  0.677655D+01 -0.981577D+00 -0.334716D+01 -0.162436D+01
      2  -0.132274D+02 -0.854449D+01 -0.771134D+01  0.201576D+00 -0.198300D+01
      3  -0.130938D+01 -0.561382D+01  0.866313D+01  0.224253D+02 -0.982193D+01
                66            67            68            69            70 
      1   0.646851D+00 -0.997633D+00 -0.104379D+01 -0.237065D+00 -0.442497D+01
      2   0.457794D+01 -0.211575D+01  0.200417D+01  0.526928D+01 -0.356911D+01
      3   0.577282D+01  0.336705D+01  0.551270D+01 -0.205293D+01  0.617008D+01
                71            72            73            74            75 
      1   0.813280D+01  0.958468D+01  0.436736D+01 -0.192678D+01 -0.235053D+01
      2   0.606425D+01  0.106425D+02 -0.115765D+02 -0.530916D+01  0.677418D+01
      3  -0.117920D+01 -0.471430D+01 -0.950416D+01 -0.166681D+02  0.124764D+01
                76            77            78            79            80 
      1   0.309682D+00  0.894194D+01 -0.742169D+01 -0.130834D+01 -0.282248D+01
      2  -0.660443D+01 -0.224191D-01  0.733685D+01  0.187972D+01  0.738882D+01
      3  -0.100491D+02  0.182438D+02 -0.767232D-02  0.198818D+01  0.214680D+01
                81            82            83            84            85 
      1  -0.775754D+01 -0.444341D+00  0.557093D+00 -0.510736D+00  0.151439D+01
      2   0.122351D+02 -0.164513D+01  0.905651D+00 -0.627074D+00  0.181380D+01
      3  -0.703919D+01  0.189034D+01  0.650156D+00 -0.589491D-01  0.902819D+00
                86            87            88            89            90 
      1  -0.222866D+01 -0.601787D+01  0.263483D+01 -0.305375D+01 -0.109969D+02
      2  -0.260346D+01 -0.689548D+01  0.261536D-01 -0.676604D+01 -0.113953D+02
      3   0.457662D+01  0.162828D+01  0.940200D+00  0.589843D+01  0.636593D+01
                91            92            93            94            95 
      1  -0.871816D+00  0.121233D+01 -0.463299D+00  0.125022D+01  0.700381D+00
      2   0.160188D+01  0.448014D+00  0.299510D+01 -0.303024D+00  0.135483D+01
      3  -0.155305D+01 -0.383690D+01 -0.332898D+00 -0.159084D+01 -0.149162D+01
                96            97            98            99           100 
      1  -0.129384D+01 -0.123426D+01  0.211727D+01 -0.122456D+01  0.771330D+00
      2   0.409128D+01  0.996646D+00  0.322448D+01  0.119057D+02 -0.183204D+01
      3  -0.321591D+01  0.143193D+00 -0.312681D+01 -0.437224D+01  0.651118D+00
               101           102           103           104           105 
      1   0.992576D+00  0.112605D+01  0.779973D-01  0.212124D+01  0.214044D+01
      2   0.780191D-01 -0.232524D+01 -0.207694D+00 -0.238928D+01 -0.530809D+01
      3   0.110761D+01 -0.741204D+00  0.123906D+01  0.565966D+00  0.226824D+01
               106           107           108           109           110 
      1  -0.330607D+00  0.490800D+01  0.102653D+02 -0.186530D+01  0.167751D+01
      2  -0.317982D+01 -0.193671D+01 -0.175350D+02 -0.134270D+00  0.160703D+01
      3  -0.120995D+01  0.357306D+01  0.218506D+01 -0.667023D+01  0.742388D+01
               111           112           113           114           115 
      1   0.164528D+01  0.171130D+01 -0.602821D+01 -0.360359D+01  0.780083D+00
      2  -0.106825D+01  0.146788D+01 -0.278780D+01  0.198336D+01 -0.151368D+01
      3  -0.126461D+00  0.976110D+01 -0.227242D+02  0.139306D+01  0.116983D+01
               116           117           118           119           120 
      1  -0.136235D+00  0.484107D+00 -0.550159D+00 -0.806561D+00 -0.210814D+01
      2   0.107311D+01 -0.918641D+00  0.731573D+01  0.785029D+00  0.682061D+01
      3  -0.747676D+00 -0.206951D+01  0.100887D+02 -0.481205D+01  0.624969D+00
               121           122           123           124           125 
      1  -0.467296D+00 -0.796642D+00 -0.405034D+00 -0.126532D+01  0.703496D+00
      2   0.136052D+01  0.567860D+00 -0.227645D+00  0.199283D+01 -0.205675D+00
      3   0.107440D+00 -0.218955D+01 -0.185849D+00  0.545848D+00 -0.120865D+01
               126           127           128           129           130 
      1   0.129374D-01  0.177456D+01 -0.349353D+00  0.142562D+01  0.139826D+00
      2   0.327966D+00  0.147746D+01 -0.757388D-01 -0.625313D-01 -0.395729D+00
      3   0.136834D+01 -0.181362D+02  0.492886D+01 -0.109911D+01  0.675398D+01
               131           132           133           134           135 
      1  -0.550631D-01 -0.333314D+01 -0.276215D+00  0.190587D+01  0.225844D+00
      2   0.775649D+00 -0.859482D+00 -0.142817D+01  0.379088D+00 -0.137590D+00
      3  -0.618935D+01 -0.800463D+00 -0.204592D+01  0.223021D+00 -0.569445D-01
               136           137           138           139           140 
      1  -0.271419D+00 -0.286780D-01 -0.190143D+01 -0.151319D+00  0.448394D+00
      2   0.540241D+00  0.876169D+00  0.213177D+01  0.714895D+00  0.261653D+01
      3  -0.101390D+01 -0.342114D+01 -0.523466D+00 -0.192167D+01 -0.129627D+02
               141           142           143           144           145 
      1  -0.404444D+01  0.611419D+00  0.200865D+01 -0.497511D+00 -0.122420D+00
      2   0.332146D+01 -0.662420D+00 -0.293851D+00  0.498680D+00  0.190724D+01
      3  -0.223397D+01 -0.336428D+00 -0.247985D+01 -0.170992D+00  0.362054D+00
               146           147           148           149           150 
      1   0.433574D+00 -0.203499D+00  0.219586D+00  0.378378D-02 -0.403835D+00
      2  -0.780703D-01  0.625349D+01  0.132597D+01  0.333448D+00  0.398797D+00
      3  -0.533908D+01  0.185700D+00 -0.376338D+01 -0.250880D+00 -0.382813D+00
               151           152           153           154           155 
      1   0.470537D-01  0.523671D+00 -0.100936D-01  0.258213D+00 -0.579986D+00
      2  -0.290533D+01  0.389115D-01  0.561722D+00  0.272833D+00 -0.305852D+00
      3  -0.126358D+01 -0.538185D+00 -0.268854D+00  0.117777D+01 -0.466159D+01
               156           157           158           159           160 
      1   0.205527D+01  0.246122D+00  0.190062D+00 -0.366084D+01 -0.903796D+00
      2   0.232798D+01  0.458254D+00 -0.102413D+01 -0.307258D+01 -0.899124D+00
      3  -0.582029D-01 -0.299244D+01  0.120372D+02  0.108050D+01 -0.623868D+00
               161           162           163           164           165 
      1   0.170494D+01 -0.283300D+00  0.797042D+00  0.307722D+00 -0.156050D+01
      2   0.727801D+00 -0.267044D+00 -0.167473D+01 -0.947336D+00  0.327242D+00
      3   0.196692D+01  0.175358D+00  0.802462D+01  0.427328D+01  0.658310D+00
               166           167           168           169           170 
      1   0.654920D+00  0.964048D+00 -0.363868D+01  0.352615D+00  0.234173D+01
      2  -0.165048D+01 -0.162877D+01  0.515006D+00 -0.179539D+01 -0.475191D+00
      3   0.789221D+01  0.790295D+01  0.187377D+01  0.132765D+01  0.231783D+01
               171           172           173           174           175 
      1  -0.391434D+00  0.188534D+01  0.676308D+00  0.173886D+01  0.960703D+00
      2   0.203476D+00 -0.152240D+01  0.871064D-01  0.491860D+01  0.772829D+00
      3   0.259567D+00 -0.128708D+02 -0.353541D+01 -0.232659D+01  0.421043D+00
               176           177           178           179           180 
      1   0.278592D+00 -0.569092D-01  0.773132D+00  0.639730D+00  0.133402D+00
      2   0.307166D-01  0.105881D+00  0.567167D+00 -0.914113D+00  0.135031D+01
      3   0.933994D-01 -0.114088D+01 -0.589516D+01 -0.162552D+01  0.631300D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.162891D+01  0.238449D+02  0.509189D+01 -0.271865D+02  0.690248D+01
      2  -0.364751D+01 -0.142734D+02  0.525638D+00  0.264474D+02 -0.113517D+02
      3   0.201860D+01 -0.957145D+01 -0.561753D+01  0.739042D+00  0.444923D+01
      4   0.186578D+02  0.377004D+01  0.494361D+01  0.794267D+01  0.106009D+02
      5   0.379054D+00  0.458425D+01  0.467441D+01 -0.275593D+01  0.767981D+01
      6   0.253841D+01 -0.262524D+01 -0.739986D+01  0.644977D+01 -0.579563D+01
                 6             7             8             9            10 
      1   0.157111D+01 -0.814638D+01  0.637460D+01  0.457676D+00  0.834460D+01
      2  -0.161676D+01  0.899275D+01 -0.856012D+01 -0.727980D+01 -0.692818D+01
      3   0.456497D-01 -0.846377D+00  0.218552D+01  0.682213D+01 -0.141642D+01
      4   0.849603D+01  0.255496D+01  0.687448D+01 -0.150762D+02 -0.117556D+02
      5  -0.138588D+02  0.192348D+02 -0.152365D+02 -0.808721D+01 -0.136892D+00
      6   0.696708D+01 -0.744056D+01  0.137112D+02 -0.410536D+00 -0.264525D+01
                11            12            13            14            15 
      1  -0.145795D+02 -0.375334D-01  0.232750D+01  0.628377D+01  0.438843D+01
      2   0.110846D+02 -0.184140D+01 -0.917608D+01 -0.950889D+01 -0.600374D+01
      3   0.349488D+01  0.187893D+01  0.684858D+01  0.322512D+01  0.161531D+01
      4  -0.186398D+02 -0.438502D+01  0.113019D+02 -0.124788D+02 -0.158498D+01
      5  -0.433642D+01 -0.478146D+01  0.104567D+01 -0.170584D+01 -0.114701D+01
      6  -0.250242D+01  0.607300D+01 -0.486376D+01 -0.883847D+01  0.404575D+01
                16            17            18            19            20 
      1   0.202999D+01  0.105853D+01 -0.159540D+02 -0.231457D+02 -0.389535D+00
      2  -0.410992D+01 -0.671067D+01  0.729926D+00  0.843297D+01  0.527733D+00
      3   0.207993D+01  0.565214D+01  0.152241D+02  0.147128D+02 -0.138198D+00
      4   0.403773D+00 -0.406147D+01 -0.623144D+01  0.124023D+02  0.278562D+01
      5  -0.133923D+00 -0.545379D+01 -0.569446D+01  0.796919D+00  0.663603D+00
      6   0.327370D+01  0.122486D+02  0.475975D+01 -0.683268D+00 -0.931783D-01
                21            22            23            24            25 
      1   0.635690D+00  0.180102D+00 -0.532404D+01  0.659058D+00 -0.846008D+01
      2  -0.757005D+00 -0.159920D+01  0.119999D+02  0.378260D+01  0.203772D+01
      3   0.121315D+00  0.141910D+01 -0.667584D+01 -0.444166D+01  0.642236D+01
      4   0.112219D+01 -0.918158D+01 -0.280869D+01 -0.141115D+01 -0.293624D+01
      5  -0.841747D+00 -0.368034D+01 -0.709603D+00  0.171110D+01  0.344278D+01
      6   0.170924D+00 -0.233621D+01  0.213005D+01 -0.327804D+01 -0.125805D+01
                26            27            28            29            30 
      1  -0.708096D+00 -0.968366D+01  0.415182D+01  0.173145D+02  0.522869D+01
      2   0.143453D+01 -0.314220D+01 -0.464065D+01 -0.121367D+02 -0.114098D+01
      3  -0.726434D+00  0.128259D+02  0.488831D+00 -0.517775D+01 -0.408771D+01
      4  -0.321374D+01  0.249117D+01  0.817400D+01 -0.123583D+02 -0.695718D-01
      5   0.194401D+01 -0.542825D+00  0.144146D+01 -0.260570D+00 -0.170850D+01
      6   0.579651D+01 -0.270566D+01  0.332576D+01 -0.298015D+01 -0.706024D+01
                31            32            33            34            35 
      1  -0.128541D+01  0.148023D+01  0.203219D+01 -0.116334D+00  0.340635D+01
      2   0.101762D+02 -0.621663D+01 -0.207388D+01  0.255164D+01 -0.537115D+01
      3  -0.889082D+01  0.473639D+01  0.416940D-01 -0.243530D+01  0.196480D+01
      4   0.475555D+01  0.136083D+02  0.173051D+01  0.674892D+00 -0.220465D+01
      5   0.149346D+01  0.156565D+01  0.409758D+00  0.362520D+01  0.388145D+01
      6   0.524376D+01 -0.312646D+01  0.694483D+01 -0.246156D+01  0.141561D+02
                36            37            38            39            40 
      1  -0.152159D+02  0.225125D+01 -0.227727D+02 -0.259625D+01  0.263855D+02
      2   0.255760D+01 -0.168501D+01  0.146566D+02  0.100894D+01 -0.249540D+02
      3   0.126583D+02 -0.566237D+00  0.811606D+01  0.158731D+01 -0.143154D+01
      4   0.356699D+01 -0.124931D+02 -0.474177D+01 -0.486125D+01  0.839585D+01
      5  -0.125516D+01 -0.426775D+01 -0.466245D+01 -0.202652D+01 -0.802049D+00
      6   0.574745D+00 -0.534274D+01 -0.199829D+01  0.520072D+01 -0.516831D+01
                41            42            43            44            45 
      1   0.104209D+02  0.174672D+01  0.250213D+01 -0.313404D+01 -0.496150D+01
      2  -0.142536D+02 -0.612413D+01 -0.632926D+01 -0.467214D+01 -0.557973D+01
      3   0.383269D+01  0.437741D+01  0.382714D+01  0.780618D+01  0.105412D+02
      4  -0.292861D+01 -0.589243D+01 -0.512207D+01 -0.908703D+01  0.151986D+02
      5  -0.594907D+01  0.143432D+02  0.144734D+02  0.154905D+02  0.784962D+01
      6  -0.901108D+01  0.642110D+01  0.606939D+01  0.145517D+02  0.369783D+01
                46            47            48            49            50 
      1  -0.704392D+01 -0.744412D+00 -0.730250D+01  0.452516D+01 -0.214397D+02
      2   0.331092D+01  0.734490D+00  0.372727D+01 -0.273757D+01  0.188545D+02
      3   0.373300D+01  0.992265D-02  0.357523D+01 -0.178760D+01  0.258520D+01
      4  -0.919232D+00  0.248104D+02  0.254228D+00 -0.231656D+02 -0.651484D+01
      5  -0.865777D+01  0.948953D-01  0.211260D+02 -0.108072D+02 -0.266903D+01
      6   0.434270D+00  0.766288D+00  0.140081D+01 -0.280985D+01  0.397724D+01
                51            52            53            54            55 
      1  -0.622239D+01 -0.896112D+01 -0.675896D+01  0.140212D+02  0.154006D+02
      2   0.933668D+01  0.307307D+01  0.517475D+01 -0.182308D+02 -0.632224D+01
      3  -0.311429D+01  0.588804D+01  0.158421D+01  0.420959D+01 -0.907839D+01
      4  -0.358747D+01 -0.118326D+02  0.833878D+00 -0.623727D+00 -0.713759D+01
      5  -0.113864D+01  0.366214D+02  0.101388D+00  0.595200D+01 -0.970805D-01
      6  -0.606889D+01  0.160104D+00  0.633139D+01 -0.406754D+01  0.710150D+00
                56            57            58            59            60 
      1   0.155234D+00 -0.130719D+00  0.121245D+01 -0.737218D+01  0.547947D+00
      2   0.345371D+01  0.665877D-01  0.564114D+01  0.277693D+01 -0.734680D+00
      3  -0.360894D+01  0.641316D-01 -0.685359D+01  0.459525D+01  0.186733D+00
      4  -0.205314D+02  0.619122D+01 -0.303469D+02 -0.159604D+01  0.328938D+01
      5   0.673367D+01 -0.132253D+02  0.986883D+01  0.218174D+01 -0.176025D+02
      6   0.136190D+01 -0.133563D+01  0.400094D+01  0.781621D+01 -0.116268D+02
                61            62            63            64            65 
      1   0.115901D+02  0.687521D+01 -0.105379D+01 -0.420489D+02  0.626258D+01
      2   0.270142D+01  0.135206D+01  0.913902D+01  0.265075D+02 -0.779132D+01
      3  -0.142915D+02 -0.822728D+01 -0.808523D+01  0.155414D+02  0.152875D+01
      4   0.126483D+02  0.129241D+02 -0.227288D+02  0.117538D+02  0.142454D+02
      5  -0.197001D+02 -0.209269D+02 -0.201747D+02 -0.131329D+02 -0.577200D+01
      6  -0.114788D+02 -0.385761D+01 -0.538935D+01  0.294823D+01  0.445065D+01
                66            67            68            69            70 
      1  -0.113275D+02 -0.821939D+00 -0.194655D+01 -0.139986D+01 -0.111435D+02
      2   0.759654D+01 -0.378658D+01  0.156900D+02 -0.400291D+00  0.847794D+01
      3   0.373092D+01  0.460852D+01 -0.137435D+02  0.180015D+01  0.266559D+01
      4  -0.430219D+01  0.206012D+02 -0.178434D+02  0.745774D+01 -0.620655D+01
      5   0.563924D+01 -0.118261D+02  0.688641D+01  0.984289D+01  0.284096D+01
      6  -0.258155D+01  0.315504D+01 -0.878371D+01  0.197018D+01  0.241120D+01
                71            72            73            74            75 
      1   0.634330D+00 -0.840907D+00 -0.554209D+02 -0.171872D+02 -0.198986D+01
      2  -0.104940D+01 -0.729423D+01  0.229095D+02  0.160137D+02  0.400816D+01
      3   0.415066D+00  0.813513D+01  0.325114D+02  0.117351D+01 -0.201830D+01
      4   0.714035D+01  0.843518D+01 -0.192370D+02  0.164540D+02 -0.729938D+01
      5   0.783209D+01  0.223670D+02 -0.306419D+01 -0.456436D+01  0.116207D+02
      6  -0.119178D+01 -0.162100D+02 -0.470461D+01 -0.590347D+01  0.426490D+01
                76            77            78            79            80 
      1  -0.794250D+01  0.203130D+02  0.270671D+01 -0.119859D+02 -0.164022D+00
      2   0.747642D+01 -0.229267D+02  0.615430D+01  0.523434D+01  0.259457D+01
      3   0.466082D+00  0.261366D+01 -0.886100D+01  0.675159D+01 -0.243055D+01
      4   0.197801D+02 -0.596154D+01 -0.464520D+01 -0.162070D+02 -0.116308D+02
      5  -0.943899D+01 -0.746204D+01  0.160037D+02  0.146337D+02  0.175497D+02
      6  -0.624889D+01 -0.459749D+01  0.884262D+01  0.816767D+01  0.905698D+01
                81            82            83            84            85 
      1   0.121439D+02  0.109930D+01 -0.306577D+01 -0.193948D+01 -0.520212D+01
      2   0.887889D+01 -0.314522D+00  0.887124D+00  0.118727D+00  0.155458D+01
      3  -0.210228D+02 -0.784775D+00  0.217864D+01  0.182075D+01  0.364754D+01
      4   0.210021D+02 -0.340726D+01  0.661814D+00  0.267436D+01  0.635879D+01
      5   0.160462D+02 -0.223254D+01  0.198967D+01 -0.310428D+00  0.463207D+01
      6   0.255596D+00  0.163577D+01 -0.110043D+01  0.775137D+00 -0.251962D+01
                86            87            88            89            90 
      1  -0.325923D+01  0.451184D+00 -0.752735D+01 -0.105403D+01 -0.591640D+01
      2   0.452113D+01  0.189826D+01  0.333721D+01  0.270020D+01  0.241015D+01
      3  -0.126189D+01 -0.234945D+01  0.419014D+01 -0.164616D+01  0.350625D+01
      4  -0.107488D+02 -0.595451D+01  0.896385D+01 -0.120795D+02 -0.125869D+02
      5  -0.507839D+01 -0.135434D+02  0.686896D+01 -0.128203D+02 -0.236695D+02
      6   0.445163D+01  0.112026D+02 -0.357133D+01  0.107757D+02  0.159001D+02
                91            92            93            94            95 
      1   0.523164D+01  0.123451D+01  0.395225D+01  0.908068D+00 -0.248792D+01
      2  -0.654610D+01 -0.119925D+01 -0.427332D+01 -0.242756D+01 -0.156275D+00
      3   0.131447D+01 -0.352619D-01  0.321074D+00  0.151949D+01  0.264420D+01
      4   0.430521D+01  0.726760D+01  0.229781D+01  0.101222D+02  0.591554D+01
      5   0.918105D+01  0.236896D+01  0.126994D+02  0.353492D+01  0.598154D+01
      6   0.294676D+01  0.374151D-01  0.179063D+01  0.194080D+01  0.429964D+01
                96            97            98            99           100 
      1  -0.266022D+01  0.288865D+01 -0.322145D+01 -0.102449D+02  0.353531D+01
      2  -0.726989D+00 -0.859953D+01 -0.241685D+01 -0.144511D+02 -0.372378D+01
      3   0.338721D+01  0.571087D+01  0.563830D+01  0.246960D+02  0.188473D+00
      4   0.631754D+01  0.317167D+01  0.688587D+01  0.940323D+01  0.123129D+01
      5   0.971211D+01  0.185824D+02  0.892741D+01  0.311506D+02 -0.217066D+01
      6   0.967546D+01  0.489766D+01  0.680327D+01  0.111477D+02  0.757737D-01
               101           102           103           104           105 
      1   0.170920D+01 -0.594787D+01 -0.205337D+01 -0.410921D+01 -0.233576D+01
      2  -0.181218D+01  0.401066D+00  0.191488D+01  0.105685D+01 -0.563009D+01
      3   0.102983D+00  0.554681D+01  0.138492D+00  0.305236D+01  0.796585D+01
      4  -0.170065D+01 -0.443626D+00 -0.340600D+00 -0.263385D+01 -0.431862D+01
      5   0.828951D+00  0.212282D-01  0.414840D+01 -0.313566D+01 -0.994363D+01
      6   0.172621D+01 -0.136340D+01  0.125427D+00  0.207101D+01  0.273187D+01
               106           107           108           109           110 
      1  -0.609901D+01 -0.268892D+00 -0.167586D+02 -0.193855D+01  0.955562D+01
      2   0.418613D+01 -0.415467D+01 -0.170225D+02  0.443449D+01 -0.110074D+02
      3   0.191288D+01  0.442356D+01  0.337811D+02 -0.249594D+01  0.145175D+01
      4  -0.276565D+01 -0.697718D+01 -0.475564D+01  0.776213D+00 -0.440820D+01
      5   0.765225D+01 -0.242020D+01 -0.300093D+02  0.177648D+01  0.106108D+00
      6   0.731440D+00  0.397804D+01 -0.934291D+01  0.478426D-02  0.264378D+01
               111           112           113           114           115 
      1  -0.718446D+00  0.101579D+02 -0.270502D+02  0.248105D+01  0.135811D+01
      2  -0.124717D+00 -0.785784D+01  0.405958D+02 -0.122195D+01 -0.713389D+00
      3   0.843163D+00 -0.230003D+01 -0.135456D+02 -0.125910D+01 -0.644725D+00
      4   0.168136D+01  0.386958D+01  0.309482D+02 -0.305925D+01  0.230021D+01
      5  -0.218539D+01 -0.305641D+01 -0.839368D+00  0.432398D+01  0.163983D+00
      6  -0.264882D+01  0.769354D+00 -0.873968D+01  0.674268D+01 -0.162188D+01
               116           117           118           119           120 
      1   0.834246D+00 -0.524707D+01  0.795718D+02  0.112351D+02  0.239562D+01
      2   0.684652D+00  0.260995D+01 -0.372972D+02 -0.232287D+01  0.415095D+00
      3  -0.151890D+01  0.263712D+01 -0.422745D+02 -0.891219D+01 -0.281071D+01
      4   0.170131D+01  0.107250D+01  0.342032D+02  0.170702D+02 -0.145453D+00
      5   0.173408D+01 -0.125273D+01 -0.940103D+01 -0.201873D+01  0.109793D+02
      6   0.618803D+01 -0.994193D+00 -0.623310D+00 -0.166076D+01  0.392882D+01
               121           122           123           124           125 
      1   0.252472D+01  0.474157D+01  0.246125D+00  0.106370D+02  0.941328D+00
      2   0.143901D+01  0.889604D+00 -0.500166D+00 -0.455532D+01  0.234586D+00
      3  -0.396374D+01 -0.563117D+01  0.254041D+00 -0.608165D+01 -0.117591D+01
      4   0.125488D+02  0.760945D+01  0.466724D+00  0.477368D+01  0.382782D+01
      5   0.257381D+00 -0.173000D+00 -0.454281D+00  0.941032D+01  0.629730D+00
      6  -0.931873D+00 -0.530964D+00  0.896568D+00  0.314448D+01  0.959926D+00
               126           127           128           129           130 
      1   0.537070D+01  0.231499D+01  0.623943D+01  0.142097D+01  0.844214D+01
      2  -0.499099D+01  0.177749D+01 -0.930706D+01 -0.113973D+01 -0.112876D+02
      3  -0.379714D+00 -0.409248D+01  0.306763D+01 -0.281237D+00  0.284543D+01
      4   0.149824D+01 -0.130709D+02  0.643423D+01  0.276355D+00  0.581940D+01
      5   0.338572D+00  0.113322D+01  0.953490D+00  0.664107D+00  0.109238D+01
      6   0.536885D+00 -0.168557D+01 -0.409660D+00 -0.129596D+01 -0.101845D+01
               131           132           133           134           135 
      1  -0.238896D+02 -0.210569D+01  0.126822D+01 -0.151034D+01 -0.231853D+00
      2   0.324674D+02  0.177000D+01 -0.144963D+01  0.224167D+01  0.104980D+01
      3  -0.857779D+01  0.335692D+00  0.181412D+00 -0.731328D+00 -0.817947D+00
      4  -0.595135D+01 -0.471810D+00 -0.856796D+00 -0.262191D-01 -0.133949D+01
      5  -0.905366D+00 -0.108224D+01  0.874164D+00 -0.719494D+00 -0.151415D+00
      6   0.266010D+01  0.517251D+01 -0.680339D+00  0.123728D+01  0.203014D+00
               136           137           138           139           140 
      1   0.845699D+01  0.640110D+01  0.112212D+01  0.119420D+01 -0.996402D+01
      2   0.199886D+01  0.452214D+01  0.200461D+00  0.106218D+02  0.310548D+02
      3  -0.104558D+02 -0.109232D+02 -0.132258D+01 -0.118160D+02 -0.210907D+02
      4   0.223031D+02  0.256168D+02  0.529000D+01  0.277013D+02  0.470757D+02
      5   0.480375D+01  0.503953D+01  0.525531D+01  0.529598D+01  0.812878D+01
      6   0.359774D+01  0.415330D+01  0.311582D+01  0.512239D+01  0.104707D+02
               141           142           143           144           145 
      1  -0.201451D+01  0.106341D+01 -0.111229D+01 -0.822410D+00  0.996960D+02
      2   0.382802D+01  0.157372D+01  0.507972D+01  0.192097D+01 -0.571352D+02
      3  -0.181351D+01 -0.263713D+01 -0.396743D+01 -0.109856D+01 -0.425608D+02
      4   0.871405D+01  0.696243D+01  0.102683D+02  0.287897D+01  0.408743D+01
      5   0.575416D+01  0.203492D+01  0.227541D+01  0.180496D+01  0.121686D+02
      6   0.799540D+01  0.190562D+01  0.343275D+01  0.251171D+01 -0.183940D+01
               146           147           148           149           150 
      1   0.281988D+01  0.815931D+01  0.176706D+01  0.889278D+01  0.142642D+01
      2  -0.137089D+01 -0.561279D+01 -0.835559D+00 -0.434149D+01 -0.132727D+01
      3  -0.144899D+01 -0.254652D+01 -0.931501D+00 -0.455129D+01 -0.991556D-01
      4   0.858024D+01  0.146121D+00  0.144066D+02  0.117090D+01  0.130466D+01
      5   0.166942D+00  0.106033D+02  0.285776D+01  0.135691D+01  0.690703D+00
      6   0.561580D+00 -0.144576D-01  0.977831D+00 -0.135372D+00  0.167534D+01
               151           152           153           154           155 
      1   0.112438D+02  0.166259D+01  0.273583D+01  0.154422D+02 -0.101628D+02
      2  -0.657761D+01 -0.106645D+01 -0.157292D+01 -0.504965D+00 -0.352502D+01
      3  -0.466621D+01 -0.596139D+00 -0.116292D+01 -0.149372D+02  0.136878D+02
      4   0.297594D+01  0.116257D+01  0.555823D+00 -0.285375D+02  0.292927D+02
      5   0.211910D+01  0.341385D+00  0.191825D+01 -0.360258D+01  0.266969D+01
      6   0.399926D-01  0.601826D+00  0.417569D+00  0.123432D+01 -0.108184D+01
               156           157           158           159           160 
      1  -0.138029D+01 -0.574963D+01 -0.149511D+01 -0.608622D-01  0.514504D+00
      2   0.290568D+00 -0.880244D+01  0.230074D+02  0.118784D+01 -0.161723D+01
      3   0.108972D+01  0.145521D+02 -0.215122D+02 -0.112697D+01  0.110272D+01
      4   0.242636D+01  0.322937D+02 -0.465850D+02 -0.551247D+01  0.306709D+01
      5   0.494352D+01  0.466530D+01 -0.619512D+01 -0.522012D+01  0.141873D+01
      6  -0.273744D+01 -0.306053D+01  0.475199D+01  0.610531D+01 -0.107774D+01
               161           162           163           164           165 
      1  -0.126266D+01 -0.515540D+00 -0.475276D+01 -0.734251D+01 -0.295894D+01
      2   0.324751D+01  0.132215D+01  0.596411D+01  0.872199D+01  0.197694D+01
      3  -0.198484D+01 -0.806612D+00 -0.121135D+01 -0.137948D+01  0.982005D+00
      4  -0.515965D+01 -0.196298D+01  0.524852D+01  0.683372D+01  0.113839D+01
      5  -0.113857D+01 -0.590659D+00  0.294956D+00  0.799364D+00  0.174626D+01
      6   0.186995D+01  0.131607D+01  0.234374D+01  0.416426D+01  0.260302D+01
               166           167           168           169           170 
      1  -0.797154D+01 -0.278841D+02 -0.728821D+01 -0.224276D+01 -0.614704D+01
      2   0.998087D+01  0.355131D+02  0.638406D+01  0.244201D+01  0.722236D+01
      3  -0.200933D+01 -0.762901D+01  0.904151D+00 -0.199251D+00 -0.107532D+01
      4   0.585535D+01  0.209879D+01 -0.381364D-02  0.154528D+01  0.901939D+00
      5   0.563699D+00 -0.677833D+00  0.466588D+00  0.115370D+01  0.630472D+00
      6   0.326463D+01  0.114910D+02  0.794159D+01  0.130737D+01  0.407352D+01
               171           172           173           174           175 
      1  -0.252852D+01  0.686550D+02 -0.942985D+01  0.113229D+02 -0.196066D+01
      2   0.261153D+01 -0.373053D+02  0.359512D+01 -0.694608D+01 -0.690332D+00
      3  -0.830064D-01 -0.313498D+02  0.583473D+01 -0.437679D+01  0.265100D+01
      4   0.185224D+01 -0.257614D+02  0.109943D+02 -0.289426D+01  0.735388D+01
      5   0.105425D+01  0.170379D+02 -0.134332D+01  0.107129D+02  0.291112D+01
      6   0.277014D+01 -0.427153D+01  0.490067D+00 -0.288642D+01  0.157587D+00
               176           177           178           179           180 
      1   0.222914D+01  0.313639D+01  0.180865D+02  0.860481D+00  0.484159D+01
      2   0.243795D+00 -0.259346D+01 -0.121561D+02 -0.659337D+00 -0.406997D+01
      3  -0.247293D+01 -0.542936D+00 -0.593045D+01 -0.201145D+00 -0.771618D+00
      4  -0.215353D+01  0.915111D+00 -0.411519D+01  0.191957D+01 -0.264987D+01
      5   0.171948D+01  0.732418D+00  0.107555D+02 -0.179860D+01  0.519654D+01
      6  -0.519468D+00  0.124920D+01 -0.169515D+01  0.171350D+01 -0.929643D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:37:39 2021, MaxMem=  5368709120 cpu:           21963.4 elap:            2748.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.43397 -10.33248 -10.30329 -10.29742 -10.29600
 Alpha  occ. eigenvalues --  -10.29543 -10.29483 -10.29143 -10.28896  -1.00137
 Alpha  occ. eigenvalues --   -0.95474  -0.86603  -0.84451  -0.81835  -0.72926
 Alpha  occ. eigenvalues --   -0.69827  -0.66792  -0.61465  -0.58133  -0.55027
 Alpha  occ. eigenvalues --   -0.53586  -0.51637  -0.50658  -0.50083  -0.49568
 Alpha  occ. eigenvalues --   -0.46746  -0.45595  -0.43794  -0.41743  -0.41047
 Alpha  occ. eigenvalues --   -0.33353  -0.32677  -0.31754
 Alpha virt. eigenvalues --    0.03408   0.04124   0.04447   0.05171   0.05657
 Alpha virt. eigenvalues --    0.05752   0.05893   0.06363   0.07135   0.07791
 Alpha virt. eigenvalues --    0.08085   0.08477   0.10000   0.11366   0.12072
 Alpha virt. eigenvalues --    0.12912   0.13612   0.13945   0.14041   0.14807
 Alpha virt. eigenvalues --    0.15165   0.15226   0.15336   0.16189   0.16287
 Alpha virt. eigenvalues --    0.16856   0.17519   0.17640   0.17985   0.18724
 Alpha virt. eigenvalues --    0.19192   0.19958   0.20365   0.20614   0.21195
 Alpha virt. eigenvalues --    0.21805   0.22645   0.23150   0.23564   0.24909
 Alpha virt. eigenvalues --    0.25015   0.25735   0.26209   0.26684   0.27641
 Alpha virt. eigenvalues --    0.28292   0.28848   0.29782   0.30057   0.30717
 Alpha virt. eigenvalues --    0.30854   0.31608   0.31962   0.32340   0.32470
 Alpha virt. eigenvalues --    0.33343   0.33752   0.34222   0.35471   0.35639
 Alpha virt. eigenvalues --    0.37280   0.38252   0.38477   0.38846   0.39748
 Alpha virt. eigenvalues --    0.40238   0.40823   0.41834   0.41886   0.42736
 Alpha virt. eigenvalues --    0.44157   0.44795   0.45373   0.46040   0.46868
 Alpha virt. eigenvalues --    0.47928   0.48354   0.48804   0.49770   0.50173
 Alpha virt. eigenvalues --    0.52012   0.52362   0.52426   0.53660   0.54290
 Alpha virt. eigenvalues --    0.54870   0.55082   0.55668   0.56959   0.57590
 Alpha virt. eigenvalues --    0.58139   0.59604   0.59835   0.60923   0.61236
 Alpha virt. eigenvalues --    0.62032   0.62570   0.63265   0.64022   0.64281
 Alpha virt. eigenvalues --    0.64445   0.65018   0.65715   0.66731   0.66909
 Alpha virt. eigenvalues --    0.67567   0.68412   0.68989   0.69779   0.70555
 Alpha virt. eigenvalues --    0.71517   0.72341   0.72784   0.73606   0.74107
 Alpha virt. eigenvalues --    0.74374   0.74715   0.75616   0.75968   0.77678
 Alpha virt. eigenvalues --    0.78783   0.79174   0.80674   0.81334   0.82274
 Alpha virt. eigenvalues --    0.83402   0.84188   0.84804   0.85499   0.85940
 Alpha virt. eigenvalues --    0.86520   0.86919   0.87828   0.88857   0.89545
 Alpha virt. eigenvalues --    0.89819   0.91054   0.91743   0.93635   0.94234
 Alpha virt. eigenvalues --    0.95723   0.97577   0.99157   1.00991   1.01599
 Alpha virt. eigenvalues --    1.03452   1.04224   1.05024   1.06256   1.06632
 Alpha virt. eigenvalues --    1.08344   1.09021   1.10072   1.13560   1.15141
 Alpha virt. eigenvalues --    1.17279   1.17991   1.18705   1.22181   1.24677
 Alpha virt. eigenvalues --    1.26067   1.32596   1.33185   1.37996   1.38391
 Alpha virt. eigenvalues --    1.39591   1.40414   1.42270   1.44324   1.45283
 Alpha virt. eigenvalues --    1.46145   1.48412   1.48836   1.49847   1.51375
 Alpha virt. eigenvalues --    1.52081   1.53683   1.55379   1.55641   1.57594
 Alpha virt. eigenvalues --    1.58558   1.59265   1.60110   1.61201   1.62467
 Alpha virt. eigenvalues --    1.63629   1.64931   1.66470   1.68973   1.69831
 Alpha virt. eigenvalues --    1.71951   1.72516   1.75658   1.75945   1.76800
 Alpha virt. eigenvalues --    1.79113   1.79907   1.81561   1.82330   1.83148
 Alpha virt. eigenvalues --    1.83689   1.85822   1.86338   1.87155   1.89639
 Alpha virt. eigenvalues --    1.91723   1.92404   1.93709   1.94869   1.96564
 Alpha virt. eigenvalues --    1.97082   1.97442   1.99794   2.01322   2.03733
 Alpha virt. eigenvalues --    2.04918   2.06151   2.06866   2.08348   2.10071
 Alpha virt. eigenvalues --    2.11786   2.12758   2.14366   2.16342   2.17044
 Alpha virt. eigenvalues --    2.18712   2.20001   2.22197   2.22333   2.23685
 Alpha virt. eigenvalues --    2.24196   2.26581   2.28587   2.32675   2.33505
 Alpha virt. eigenvalues --    2.35389   2.39222   2.39539   2.41018   2.44353
 Alpha virt. eigenvalues --    2.45447   2.48676   2.50246   2.52312   2.57420
 Alpha virt. eigenvalues --    2.58537   2.60942   2.61923   2.63347   2.64966
 Alpha virt. eigenvalues --    2.66565   2.71524   2.73486   2.76168   2.77151
 Alpha virt. eigenvalues --    2.83381   2.85000   2.87999   2.90829   2.94247
 Alpha virt. eigenvalues --    2.97399   3.00802   3.07552   3.11938   3.15196
 Alpha virt. eigenvalues --    3.18627   3.23341   3.29135   3.43981   3.53726
 Alpha virt. eigenvalues --    3.63210   3.65615   4.59454
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.082742  -6.099270   3.798736  -5.769807   5.334174  -5.206744
     2  C   -6.099270  22.819439  -9.220843   2.751798  -5.702223   4.561679
     3  C    3.798736  -9.220843  17.989898  -7.755332   4.016983  -4.892084
     4  C   -5.769807   2.751798  -7.755332  21.423109  -8.116583   4.838326
     5  C    5.334174  -5.702223   4.016983  -8.116583  15.984892  -5.313611
     6  C   -5.206744   4.561679  -4.892084   4.838326  -5.313611  12.123794
     7  C   -0.094060  -2.351420  -0.031956  -1.328971   0.147414  -0.092748
     8  N   -0.082154   0.120374  -0.266771   0.274098  -0.205961   0.054635
     9  C    0.129275  -0.308871  -0.038727  -0.143292   0.084740  -0.070628
    10  H    0.000976  -0.033568   0.003588   0.077725   0.059984  -0.001477
    11  H   -0.010039   0.076404   0.188472   0.107888   0.008458   0.010976
    12  H   -0.036975   0.023270  -0.125235   0.134949   0.002033   0.011065
    13  H   -0.037270  -0.173594  -0.128561   0.013585   0.026136  -0.016356
    14  H    0.051489   0.065676   0.224617  -0.152245  -0.013957  -0.002880
    15  H    0.184356  -0.293961   0.638251  -2.288226   0.932948  -0.249113
    16  H   -0.392588   0.178419  -0.228875   1.281336  -1.741618   0.495533
    17  H    0.639494  -0.160776   0.102326  -0.198308   0.617566  -1.315169
    18  H   -1.466308   0.995129  -0.368389   0.181826  -0.325125   0.609596
    19  H    0.740889  -1.946142   0.703511  -0.183591   0.110335  -0.214025
    20  H    0.004224  -0.011220   0.108201  -0.067286   0.002186  -0.003423
               7          8          9         10         11         12
     1  C   -0.094060  -0.082154   0.129275   0.000976  -0.010039  -0.036975
     2  C   -2.351420   0.120374  -0.308871  -0.033568   0.076404   0.023270
     3  C   -0.031956  -0.266771  -0.038727   0.003588   0.188472  -0.125235
     4  C   -1.328971   0.274098  -0.143292   0.077725   0.107888   0.134949
     5  C    0.147414  -0.205961   0.084740   0.059984   0.008458   0.002033
     6  C   -0.092748   0.054635  -0.070628  -0.001477   0.010976   0.011065
     7  C    9.572033   0.237669   0.558391  -0.152525  -0.688560  -0.188186
     8  N    0.237669   6.566310  -0.079537   0.340481  -0.020882  -0.000900
     9  C    0.558391  -0.079537   4.259528  -0.055865  -0.034064   0.354334
    10  H   -0.152525   0.340481  -0.055865   0.836052   0.027706  -0.000559
    11  H   -0.688560  -0.020882  -0.034064   0.027706   1.702712   0.075137
    12  H   -0.188186  -0.000900   0.354334  -0.000559   0.075137   1.507729
    13  H    0.393196  -0.027422   0.197844   0.006347  -0.064676  -0.204533
    14  H   -0.024998  -0.022387   0.159518  -0.010466  -0.036898  -0.352017
    15  H    0.260674  -0.190622   0.020456  -0.014333   0.018746  -0.001187
    16  H    0.019935   0.002017   0.000679  -0.000339  -0.001070  -0.000382
    17  H   -0.016480   0.001817  -0.000042   0.000160   0.000883   0.000389
    18  H    0.032927  -0.002071  -0.003092   0.000132   0.000761   0.000329
    19  H   -0.172538   0.003895   0.069961   0.000873   0.010643  -0.000201
    20  H   -0.048745   0.294765  -0.015876  -0.089462  -0.036488  -0.005665
              13         14         15         16         17         18
     1  C   -0.037270   0.051489   0.184356  -0.392588   0.639494  -1.466308
     2  C   -0.173594   0.065676  -0.293961   0.178419  -0.160776   0.995129
     3  C   -0.128561   0.224617   0.638251  -0.228875   0.102326  -0.368389
     4  C    0.013585  -0.152245  -2.288226   1.281336  -0.198308   0.181826
     5  C    0.026136  -0.013957   0.932948  -1.741618   0.617566  -0.325125
     6  C   -0.016356  -0.002880  -0.249113   0.495533  -1.315169   0.609596
     7  C    0.393196  -0.024998   0.260674   0.019935  -0.016480   0.032927
     8  N   -0.027422  -0.022387  -0.190622   0.002017   0.001817  -0.002071
     9  C    0.197844   0.159518   0.020456   0.000679  -0.000042  -0.003092
    10  H    0.006347  -0.010466  -0.014333  -0.000339   0.000160   0.000132
    11  H   -0.064676  -0.036898   0.018746  -0.001070   0.000883   0.000761
    12  H   -0.204533  -0.352017  -0.001187  -0.000382   0.000389   0.000329
    13  H    1.549744  -0.276756   0.002924  -0.000401   0.000117  -0.000832
    14  H   -0.276756   1.590861   0.001394   0.000480  -0.000082   0.000443
    15  H    0.002924   0.001394   3.084966  -0.145864  -0.024297   0.016700
    16  H   -0.000401   0.000480  -0.145864   2.299039  -0.107017  -0.028764
    17  H    0.000117  -0.000082  -0.024297  -0.107017   2.208311  -0.112990
    18  H   -0.000832   0.000443   0.016700  -0.028764  -0.112990   2.311888
    19  H   -0.046369   0.006045  -0.042991   0.014774  -0.021510  -0.198846
    20  H   -0.000140   0.010509   0.000391   0.001140  -0.000111   0.000260
              19         20
     1  C    0.740889   0.004224
     2  C   -1.946142  -0.011220
     3  C    0.703511   0.108201
     4  C   -0.183591  -0.067286
     5  C    0.110335   0.002186
     6  C   -0.214025  -0.003423
     7  C   -0.172538  -0.048745
     8  N    0.003895   0.294765
     9  C    0.069961  -0.015876
    10  H    0.000873  -0.089462
    11  H    0.010643  -0.036488
    12  H   -0.000201  -0.005665
    13  H   -0.046369  -0.000140
    14  H    0.006045   0.010509
    15  H   -0.042991   0.000391
    16  H    0.014774   0.001140
    17  H   -0.021510  -0.000111
    18  H   -0.198846   0.000260
    19  H    3.112878  -0.002867
    20  H   -0.002867   0.933621
 Mulliken charges:
               1
     1  C    0.228861
     2  C    0.709701
     3  C    1.282191
     4  C    0.919002
     5  C    0.091231
     6  C    0.672654
     7  C   -0.031050
     8  N    0.002647
     9  C    0.915268
    10  H    0.004568
    11  H   -0.336111
    12  H   -0.193395
    13  H   -0.212984
    14  H   -0.218346
    15  H   -0.911212
    16  H   -0.646434
    17  H   -0.614283
    18  H   -0.643573
    19  H   -0.944724
    20  H   -0.074012
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.414712
     2  C   -0.235023
     3  C    1.282191
     4  C    0.007790
     5  C   -0.555203
     6  C    0.058372
     7  C   -0.367161
     8  N   -0.066797
     9  C    0.290544
 Electronic spatial extent (au):  <R**2>=           1297.3122
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1241    Y=             -0.7569    Z=              0.6470  Tot=              1.5017
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.3356   YY=            -53.3035   ZZ=            -58.3313
   XY=              0.3701   XZ=             -0.1186   YZ=              3.5997
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.6545   YY=             -0.3133   ZZ=             -5.3412
   XY=              0.3701   XZ=             -0.1186   YZ=              3.5997
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.8085  YYY=             -1.5456  ZZZ=             -0.0216  XYY=              4.0430
  XXY=              3.6541  XXZ=              0.4472  XZZ=             -8.9134  YZZ=              0.0074
  YYZ=              3.7686  XYZ=             -2.6699
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1091.2653 YYYY=           -427.9151 ZZZZ=           -126.0148 XXXY=            -26.9048
 XXXZ=             23.5161 YYYX=             -0.8427 YYYZ=             17.4056 ZZZX=              0.7401
 ZZZY=              2.3686 XXYY=           -266.3546 XXZZ=           -235.4504 YYZZ=           -101.9892
 XXYZ=             11.7991 YYXZ=             -6.3915 ZZXY=             -1.1404
 N-N= 4.253603525084D+02 E-N=-1.699909369641D+03  KE= 3.638908403154D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:37:40 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.48079380D-01-2.69225474D-01 2.51130787D-01
 Polarizability= 1.26729849D+02 9.03546457D-01 1.04139862D+02
                 2.81517985D+00 4.83740742D+00 6.70563751D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1246   -1.1250        0.4120    0.4116
 2      1.1246    1.1250       -2.0208   -2.0206      -11.8214  -11.8177
 3     -0.4120   -0.4116       30.2385   30.2330        2.0186    2.0206
 4      2.0208    2.0206        0.0000    0.0000       -0.4103   -0.4116
 5    -18.4171  -18.4153        0.4103    0.4116       -1.1240   -1.1250
 6     -2.0186   -2.0206        1.1240    1.1250       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.3751    3.3751        1.2349    1.2349
 2      6.0619    6.0619       -0.0000    0.0000        1.2349    1.2349
 3      6.0619    6.0619        3.3751    3.3751        0.0000    0.0000
 4      3.3751    3.3751       -6.0619   -6.0619      -35.4530  -35.4530
 5     -1.2349   -1.2349       90.6989   90.6989        6.0619    6.0619
 6    -55.2459  -55.2459        1.2349    1.2349       -3.3751   -3.3751
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3845    0.0000        3.5850    4.5001        0.6329   -1.6465
 2     -4.4497   -4.5001        8.0804    8.0825       46.5121   47.2707
 3      1.7814    1.6465     -121.1438 -120.9318       -7.3902   -8.0825
 4     -8.1080   -8.0825        0.0452    0.0000        1.7540    1.6465
 5     73.6622   73.6612       -1.5793   -1.6465        4.6030    4.5001
 6      8.1397    8.0825       -4.4632   -4.5001       -0.0579    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1312    0.0000        3.4236    3.0691      -12.1990  -11.6700
 2     -3.1182   -3.0691      -37.9959  -38.0288      -24.6030  -24.2450
 3     11.0361   11.6700      -23.9697  -22.5531       46.0638   38.0288
 4     37.9980   38.0288       -0.1867    0.0000       11.5650   11.6700
 5     47.3747   46.7982      -11.7504  -11.6700        2.6866    3.0691
 6    -38.0760  -38.0288       -3.0535   -3.0691        0.3613    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.7374    9.9268        6.5631    6.8630       14.5925   14.0011
 2     70.6132   70.6945        0.7349    0.9584       13.9922   14.0011
 3     70.6462   70.6945        6.4813    6.8630       20.3307   20.0463
 4      5.9837    5.9046      -60.4788  -60.7677      -31.9652  -32.5184
 5      5.5328    6.0453      -42.9792  -42.4936       66.0537   60.7677
 6     75.6350   75.0120       -6.7402   -6.0453       -4.2366   -5.9046
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.9637   -3.5027   -0.0008   -0.0008   -0.0007    5.4256
 Low frequencies ---   38.3573  140.8983  226.9340
 Diagonal vibrational polarizability:
       16.3409826       6.7537814      20.4588085
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.3382               140.8978               226.9339
 Red. masses --      3.1692                 3.0957                 2.1737
 Frc consts  --      0.0027                 0.0362                 0.0660
 IR Inten    --      0.1854                 3.1281                 2.8062
 RamAct Fr= 1--      2.3140                 3.9234                 0.1842
  Dep-P Fr= 1--      0.7436                 0.7168                 0.6095
  Dep-U Fr= 1--      0.8530                 0.8351                 0.7574
 Alpha2 Fr= 1--      0.0003                 0.0022                 0.0005
 Beta2  Fr= 1--      0.3290                 0.5460                 0.0233
 AlphaG Fr= 1--      0.0010                 0.0003                 0.0009
 Gamma2 Fr= 1--     -1.4494                -0.9811                -0.0152
 Delta2 Fr= 1--     -1.1335                -0.4141                 0.1189
 Raman1 Fr= 1--       9.256                 15.694                  0.737
 ROA1   Fr= 1--    -175.419               -107.434                  2.346
 CID1   Fr= 1--     -18.952                 -6.846                  3.184
 Raman2 Fr= 1--       3.948                  6.553                  0.279
 ROA2   Fr= 1--     -25.719                -20.233                 -1.316
 CID2   Fr= 1--      -6.515                 -3.088                 -4.716
 Raman3 Fr= 1--       7.895                 13.105                  0.558
 ROA3   Fr= 1--    -175.419               -107.434                  2.346
 CID3   Fr= 1--     -22.219                 -8.198                  4.204
 RC180  Fr= 1--       0.706                  0.670                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.14    -0.05  -0.03   0.07     0.06   0.04  -0.01
     2   6    -0.01  -0.02   0.15    -0.02   0.02  -0.14     0.06  -0.07  -0.03
     3   6     0.00   0.01   0.01    -0.01   0.04  -0.19    -0.01  -0.11  -0.04
     4   6     0.02   0.03  -0.13    -0.00   0.03  -0.17    -0.08  -0.08  -0.02
     5   6     0.03   0.03  -0.15    -0.03  -0.02   0.03    -0.10   0.03   0.02
     6   6     0.01   0.01  -0.01    -0.05  -0.05   0.19    -0.02   0.08   0.01
     7   6    -0.00   0.04  -0.01    -0.02   0.02  -0.04    -0.01  -0.04  -0.01
     8   7     0.02   0.04   0.21    -0.04  -0.00   0.08     0.16   0.05   0.02
     9   6    -0.04  -0.12  -0.20     0.19   0.00   0.07    -0.10   0.05   0.02
    10   1     0.06  -0.10   0.26     0.17   0.01   0.07     0.47   0.13  -0.01
    11   1     0.01   0.22  -0.09    -0.16   0.01  -0.01    -0.09  -0.02  -0.00
    12   1    -0.04  -0.32  -0.13     0.43  -0.02   0.04     0.16  -0.08   0.02
    13   1    -0.09  -0.13  -0.38     0.15  -0.01  -0.05    -0.38  -0.06  -0.14
    14   1    -0.04  -0.05  -0.23     0.15   0.03   0.32    -0.15   0.35   0.18
    15   1     0.03   0.04  -0.23     0.01   0.04  -0.23    -0.12  -0.11  -0.05
    16   1     0.04   0.05  -0.26    -0.02  -0.03   0.09    -0.17   0.06   0.03
    17   1     0.01   0.01  -0.02    -0.08  -0.09   0.40    -0.02   0.15   0.03
    18   1    -0.03  -0.04   0.25    -0.06  -0.04   0.16     0.13   0.09  -0.01
    19   1    -0.02  -0.04   0.26    -0.02   0.03  -0.19     0.13  -0.11  -0.02
    20   1     0.00   0.09   0.23    -0.10  -0.03   0.30     0.07   0.13   0.32
                      4                      5                      6
                      A                      A                      A
 Frequencies --    251.5487               259.7077               333.6777
 Red. masses --      1.0306                 1.4496                 3.0139
 Frc consts  --      0.0384                 0.0576                 0.1977
 IR Inten    --     32.0808                14.8692                 1.6611
 RamAct Fr= 1--      0.1799                 0.5819                 1.1388
  Dep-P Fr= 1--      0.7480                 0.6223                 0.0277
  Dep-U Fr= 1--      0.8559                 0.7672                 0.0539
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0237
 Beta2  Fr= 1--      0.0257                 0.0744                 0.0102
 AlphaG Fr= 1--     -0.0002                -0.0043                 0.0071
 Gamma2 Fr= 1--      0.1724                 0.5063                -0.0024
 Delta2 Fr= 1--     -0.0327                 0.0225                -0.0113
 Raman1 Fr= 1--       0.720                  2.328                  4.555
 ROA1   Fr= 1--      15.504                 49.326                 -0.590
 CID1   Fr= 1--      21.544                 21.192                 -0.129
 Raman2 Fr= 1--       0.308                  0.893                  0.123
 ROA2   Fr= 1--       4.399                 11.972                  0.034
 CID2   Fr= 1--      14.286                 13.409                  0.274
 Raman3 Fr= 1--       0.616                  1.786                  0.246
 ROA3   Fr= 1--      15.504                 49.326                 -0.590
 CID3   Fr= 1--      25.173                 27.624                 -2.401
 RC180  Fr= 1--       0.712                  0.534                 -0.892
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.04  -0.01   0.00    -0.08  -0.02   0.04
     2   6    -0.01   0.01  -0.01    -0.04   0.03   0.06    -0.07  -0.06   0.10
     3   6    -0.00   0.01   0.00    -0.01   0.05   0.04    -0.03  -0.03  -0.01
     4   6     0.01   0.01  -0.00     0.02   0.03   0.07    -0.10  -0.03   0.09
     5   6     0.01  -0.00   0.00     0.03  -0.01   0.01    -0.11   0.00   0.02
     6   6     0.00  -0.01   0.01     0.00  -0.02  -0.05    -0.10   0.03  -0.11
     7   6     0.00  -0.01  -0.00     0.01   0.00  -0.01     0.03   0.04  -0.08
     8   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.09     0.14   0.09  -0.01
     9   6    -0.02  -0.01  -0.01     0.05  -0.04  -0.02     0.23  -0.02  -0.03
    10   1     0.49   0.20  -0.10     0.31   0.20  -0.18     0.11   0.01   0.02
    11   1     0.02  -0.02  -0.00     0.06  -0.04  -0.01    -0.02   0.08  -0.08
    12   1    -0.35   0.17  -0.02     0.42  -0.29   0.01     0.17   0.12  -0.07
    13   1     0.21   0.07   0.23    -0.22  -0.13  -0.35     0.53   0.11   0.06
    14   1     0.03  -0.27  -0.26    -0.01   0.25   0.26     0.25  -0.35   0.01
    15   1     0.04   0.03  -0.01     0.06   0.06   0.09    -0.14  -0.07   0.13
    16   1     0.01  -0.00  -0.00     0.06  -0.02  -0.00    -0.12   0.00   0.03
    17   1    -0.00  -0.01   0.01     0.01  -0.03  -0.13    -0.09   0.07  -0.25
    18   1    -0.01  -0.00  -0.01    -0.07  -0.02  -0.01    -0.04  -0.01   0.06
    19   1    -0.01   0.02  -0.02    -0.07   0.04   0.08    -0.08  -0.08   0.16
    20   1    -0.15  -0.11   0.53    -0.15  -0.16   0.32     0.16   0.23  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.3804               415.3491               465.0528
 Red. masses --      3.3102                 2.9778                 2.8227
 Frc consts  --      0.3064                 0.3027                 0.3597
 IR Inten    --      7.6347                 0.0411                 1.6174
 RamAct Fr= 1--      0.8821                 0.0560                 2.7950
  Dep-P Fr= 1--      0.7269                 0.3445                 0.0973
  Dep-U Fr= 1--      0.8418                 0.5125                 0.1773
 Alpha2 Fr= 1--      0.0004                 0.0005                 0.0493
 Beta2  Fr= 1--      0.1238                 0.0048                 0.0826
 AlphaG Fr= 1--     -0.0017                -0.0034                 0.0313
 Gamma2 Fr= 1--      0.3854                -0.3558                 0.2337
 Delta2 Fr= 1--      0.0789                -0.0564                -0.0313
 Raman1 Fr= 1--       3.529                  0.224                 11.180
 ROA1   Fr= 1--      39.523                -35.958                 21.433
 CID1   Fr= 1--      11.201               -160.426                  1.917
 Raman2 Fr= 1--       1.485                  0.057                  0.991
 ROA2   Fr= 1--       8.618                 -8.087                  5.860
 CID2   Fr= 1--       5.803               -140.806                  5.911
 Raman3 Fr= 1--       2.970                  0.115                  1.983
 ROA3   Fr= 1--      39.523                -35.958                 21.433
 CID3   Fr= 1--      13.306               -313.035                 10.810
 RC180  Fr= 1--       0.684                  0.025                 -0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01  -0.07     0.02   0.04  -0.21     0.09   0.02  -0.00
     2   6    -0.07   0.07  -0.07    -0.02  -0.03   0.21     0.06  -0.04  -0.01
     3   6    -0.01   0.06   0.12    -0.00   0.00  -0.00    -0.05  -0.08   0.03
     4   6    -0.00   0.10  -0.07     0.03   0.04  -0.21     0.01  -0.11  -0.02
     5   6    -0.01   0.04  -0.05    -0.02  -0.04   0.20     0.01  -0.03  -0.03
     6   6    -0.09  -0.03   0.10     0.00  -0.00  -0.00     0.09   0.02   0.04
     7   6     0.04  -0.05   0.15    -0.01   0.00  -0.00    -0.13   0.11   0.10
     8   7     0.22   0.01  -0.08    -0.01  -0.00   0.00    -0.11   0.19  -0.09
     9   6    -0.03  -0.18   0.05     0.01  -0.00  -0.00     0.03  -0.11   0.02
    10   1     0.11   0.16  -0.14    -0.01  -0.00   0.00    -0.06   0.46  -0.20
    11   1     0.11  -0.11   0.15    -0.02   0.01  -0.00    -0.17   0.10   0.11
    12   1    -0.11  -0.36   0.13     0.00   0.01  -0.00     0.01  -0.32   0.10
    13   1     0.01  -0.15  -0.11     0.01   0.00   0.01     0.29   0.03  -0.25
    14   1    -0.01  -0.19  -0.06     0.01  -0.01  -0.00     0.04  -0.38   0.06
    15   1     0.02   0.12  -0.18     0.05   0.07  -0.43     0.02  -0.10  -0.04
    16   1     0.06   0.02  -0.12    -0.04  -0.08   0.46    -0.07   0.01  -0.06
    17   1    -0.10  -0.10   0.22     0.00  -0.01   0.01     0.08   0.05   0.08
    18   1    -0.10   0.02  -0.17     0.04   0.07  -0.43     0.10   0.03  -0.03
    19   1    -0.13   0.13  -0.18    -0.04  -0.08   0.45     0.17  -0.09  -0.04
    20   1     0.28   0.22  -0.31    -0.01   0.00  -0.01    -0.12   0.16  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    519.1726               597.2976               638.9278
 Red. masses --      3.2119                 2.8438                 6.3743
 Frc consts  --      0.5101                 0.5978                 1.5332
 IR Inten    --      6.6799                10.3708                 0.0498
 RamAct Fr= 1--      2.0012                 0.7771                 4.3148
  Dep-P Fr= 1--      0.2250                 0.7482                 0.7496
  Dep-U Fr= 1--      0.3674                 0.8559                 0.8569
 Alpha2 Fr= 1--      0.0254                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1225                 0.1109                 0.6162
 AlphaG Fr= 1--     -0.0130                 0.0004                 0.0005
 Gamma2 Fr= 1--     -0.3329                 0.0496                 0.0452
 Delta2 Fr= 1--     -0.0875                 0.0264                 0.0595
 Raman1 Fr= 1--       8.005                  3.108                 17.259
 ROA1   Fr= 1--     -34.761                  5.603                  6.247
 CID1   Fr= 1--      -4.343                  1.803                  0.362
 Raman2 Fr= 1--       1.470                  1.330                  7.394
 ROA2   Fr= 1--      -7.290                  0.979                  0.610
 CID2   Fr= 1--      -4.958                  0.736                  0.082
 Raman3 Fr= 1--       2.941                  2.661                 14.789
 ROA3   Fr= 1--     -34.761                  5.603                  6.247
 CID3   Fr= 1--     -11.820                  2.106                  0.422
 RC180  Fr= 1--      -0.265                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.11    -0.01  -0.09   0.06     0.27  -0.23  -0.01
     2   6     0.01  -0.10  -0.00     0.02  -0.11  -0.07     0.22   0.22   0.05
     3   6     0.05  -0.08   0.24     0.14   0.00  -0.10    -0.01   0.14   0.02
     4   6    -0.05  -0.02   0.00    -0.00   0.04  -0.05    -0.25   0.20   0.00
     5   6    -0.06   0.03  -0.11    -0.05   0.05   0.08    -0.24  -0.25  -0.07
     6   6    -0.11  -0.02   0.14    -0.12   0.03  -0.12     0.01  -0.14  -0.03
     7   6     0.12   0.08   0.01     0.15   0.08   0.18     0.00  -0.00   0.01
     8   7    -0.08  -0.00   0.01    -0.05   0.02  -0.02     0.01   0.03  -0.00
     9   6     0.09   0.13  -0.08    -0.01  -0.00   0.00    -0.01   0.00   0.00
    10   1    -0.10  -0.00   0.01    -0.15   0.25  -0.11     0.01   0.02   0.00
    11   1     0.28   0.12  -0.04     0.10   0.03   0.20     0.01  -0.00   0.01
    12   1     0.12   0.12  -0.09    -0.25  -0.27   0.14    -0.01  -0.02   0.01
    13   1     0.05   0.11  -0.08    -0.10  -0.03  -0.16    -0.01   0.00  -0.02
    14   1     0.09   0.18  -0.07     0.03   0.12  -0.30    -0.01   0.01  -0.01
    15   1    -0.12  -0.05  -0.24    -0.13  -0.05   0.09    -0.10   0.29   0.05
    16   1    -0.02   0.07  -0.36    -0.01  -0.02   0.32    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.13   0.03  -0.06    -0.02   0.29   0.05
    18   1     0.12   0.06  -0.35     0.08  -0.06   0.31     0.12  -0.32  -0.02
    19   1     0.01  -0.04  -0.24    -0.07  -0.10   0.11     0.07   0.29   0.07
    20   1    -0.11  -0.31   0.16    -0.04  -0.31   0.01     0.00   0.03   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    713.4131               752.2143               778.0136
 Red. masses --      1.7853                 3.1731                 2.0158
 Frc consts  --      0.5354                 1.0578                 0.7189
 IR Inten    --     40.2636                13.4745                20.9051
 RamAct Fr= 1--      0.1129                13.7596                 4.7507
  Dep-P Fr= 1--      0.5567                 0.0486                 0.2634
  Dep-U Fr= 1--      0.7153                 0.0927                 0.4170
 Alpha2 Fr= 1--      0.0004                 0.2727                 0.0542
 Beta2  Fr= 1--      0.0135                 0.2126                 0.3302
 AlphaG Fr= 1--      0.0021                -0.0813                -0.0044
 Gamma2 Fr= 1--      0.1076                 1.5524                 0.6818
 Delta2 Fr= 1--      0.0248                 0.6772                -0.1858
 Raman1 Fr= 1--       0.452                 55.038                 19.003
 ROA1   Fr= 1--      11.121                170.706                 59.506
 CID1   Fr= 1--      24.625                  3.102                  3.131
 Raman2 Fr= 1--       0.162                  2.551                  3.962
 ROA2   Fr= 1--       2.383                 31.841                 17.849
 CID2   Fr= 1--      14.755                 12.482                  4.505
 Raman3 Fr= 1--       0.323                  5.102                  7.924
 ROA3   Fr= 1--      11.121                170.706                 59.506
 CID3   Fr= 1--      34.428                 33.459                  7.510
 RC180  Fr= 1--       0.431                 -0.815                 -0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.14    -0.07   0.14   0.03     0.03  -0.06  -0.00
     2   6    -0.01  -0.02   0.07    -0.05   0.13  -0.06     0.03  -0.03  -0.08
     3   6     0.02   0.02  -0.10    -0.12  -0.03   0.10     0.01  -0.03   0.18
     4   6    -0.01  -0.01   0.08    -0.04  -0.13  -0.10     0.03   0.06  -0.06
     5   6     0.02   0.03  -0.14    -0.06  -0.15  -0.02     0.03   0.06   0.02
     6   6    -0.02  -0.01   0.07     0.15   0.03  -0.07    -0.04   0.02  -0.12
     7   6     0.00   0.00   0.00     0.08   0.03   0.10    -0.07  -0.03  -0.07
     8   7     0.00   0.00  -0.00     0.04  -0.07   0.01    -0.01   0.03  -0.01
     9   6     0.00  -0.00   0.00     0.07   0.09  -0.06    -0.03  -0.02  -0.00
    10   1    -0.00   0.02  -0.01    -0.05   0.03  -0.03     0.05  -0.08   0.04
    11   1    -0.04  -0.00   0.01     0.17   0.00   0.09     0.08   0.05  -0.13
    12   1    -0.03  -0.02   0.01    -0.03  -0.02  -0.00     0.17   0.15  -0.09
    13   1    -0.02  -0.01   0.00     0.02   0.08  -0.14     0.07   0.01   0.10
    14   1     0.00   0.01  -0.03     0.09   0.15  -0.20    -0.06  -0.14   0.26
    15   1    -0.04  -0.06   0.49     0.03  -0.10   0.08    -0.02   0.03   0.01
    16   1    -0.01  -0.03   0.19    -0.30  -0.12   0.35     0.06  -0.05   0.45
    17   1    -0.07  -0.10   0.56     0.10  -0.04   0.36    -0.11  -0.10   0.48
    18   1    -0.02  -0.04   0.21    -0.28  -0.03   0.36     0.05  -0.10   0.45
    19   1    -0.05  -0.10   0.51     0.04   0.05   0.10    -0.02  -0.03   0.02
    20   1     0.00  -0.01   0.00     0.06  -0.22  -0.01    -0.04   0.14   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.4258               861.6440               920.2131
 Red. masses --      1.2898                 1.6641                 1.5161
 Frc consts  --      0.5574                 0.7279                 0.7564
 IR Inten    --     16.1762                98.9314                22.1301
 RamAct Fr= 1--      2.0950                 0.2532                 3.4211
  Dep-P Fr= 1--      0.6553                 0.3602                 0.5110
  Dep-U Fr= 1--      0.7918                 0.5296                 0.6763
 Alpha2 Fr= 1--      0.0036                 0.0022                 0.0160
 Beta2  Fr= 1--      0.2765                 0.0224                 0.3856
 AlphaG Fr= 1--     -0.0034                 0.0039                -0.0392
 Gamma2 Fr= 1--     -0.5717                -0.0349                -2.0671
 Delta2 Fr= 1--     -0.4380                 0.1046                -1.5238
 Raman1 Fr= 1--       8.380                  1.013                 13.685
 ROA1   Fr= 1--     -68.903                 -0.005               -247.204
 CID1   Fr= 1--      -8.222                 -0.005                -18.065
 Raman2 Fr= 1--       3.317                  0.268                  4.628
 ROA2   Fr= 1--     -10.217                 -1.674                -37.420
 CID2   Fr= 1--      -3.080                 -6.242                 -8.086
 Raman3 Fr= 1--       6.635                  0.536                  9.255
 ROA3   Fr= 1--     -68.903                 -0.005               -247.204
 CID3   Fr= 1--     -10.385                 -0.010                -26.709
 RC180  Fr= 1--       0.584                  0.059                  0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.07    -0.02   0.03  -0.03    -0.02   0.03   0.01
     2   6     0.01   0.01  -0.08    -0.01   0.03  -0.03    -0.01   0.01  -0.00
     3   6    -0.00  -0.00   0.01     0.01  -0.00   0.00     0.03   0.01   0.00
     4   6    -0.01  -0.00   0.06    -0.01  -0.02   0.02    -0.01  -0.03  -0.00
     5   6    -0.00  -0.01   0.07    -0.01  -0.03   0.03    -0.03  -0.04  -0.02
     6   6    -0.00  -0.00   0.01     0.02  -0.00   0.01     0.02   0.01   0.00
     7   6    -0.02   0.01   0.01     0.07  -0.02  -0.05     0.10   0.02  -0.05
     8   7    -0.01  -0.05   0.02     0.02   0.16  -0.06    -0.06   0.04   0.03
     9   6     0.01   0.02  -0.02    -0.03  -0.07   0.06     0.00  -0.14   0.03
    10   1     0.09   0.19  -0.08    -0.25  -0.51   0.23     0.04   0.41  -0.13
    11   1    -0.02   0.02   0.01     0.09  -0.04  -0.04     0.20   0.25  -0.16
    12   1     0.01   0.03  -0.02    -0.03  -0.06   0.06     0.02   0.27  -0.12
    13   1     0.01   0.02  -0.02    -0.07  -0.09   0.11    -0.29  -0.30   0.50
    14   1     0.02   0.03  -0.03    -0.03  -0.07   0.07    -0.03   0.20   0.08
    15   1     0.04   0.06  -0.44    -0.00  -0.00  -0.17    -0.00  -0.03  -0.02
    16   1     0.07   0.08  -0.46    -0.01   0.03  -0.23    -0.09  -0.02   0.04
    17   1     0.00   0.01  -0.04     0.02  -0.01  -0.03     0.01   0.03   0.01
    18   1    -0.04  -0.09   0.44    -0.08  -0.03   0.20    -0.04   0.03  -0.06
    19   1    -0.04  -0.09   0.48    -0.03  -0.02   0.22    -0.03   0.03  -0.00
    20   1     0.03   0.16  -0.14    -0.08  -0.45   0.35     0.00   0.18  -0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    923.5110               962.3217               977.5367
 Red. masses --      1.3848                 1.3371                 1.2443
 Frc consts  --      0.6959                 0.7296                 0.7005
 IR Inten    --      1.9609                 0.6079                 0.3103
 RamAct Fr= 1--      1.6936                 0.2245                 0.5757
  Dep-P Fr= 1--      0.3397                 0.2447                 0.1252
  Dep-U Fr= 1--      0.5072                 0.3931                 0.2226
 Alpha2 Fr= 1--      0.0154                 0.0027                 0.0095
 Beta2  Fr= 1--      0.1432                 0.0147                 0.0214
 AlphaG Fr= 1--     -0.0204                 0.0047                 0.0114
 Gamma2 Fr= 1--     -1.4480                 0.6881                 0.1551
 Delta2 Fr= 1--      0.1166                -0.1923                -0.0215
 Raman1 Fr= 1--       6.774                  0.898                  2.303
 ROA1   Fr= 1--    -135.275                 59.902                 14.205
 CID1   Fr= 1--     -19.969                 66.708                  6.169
 Raman2 Fr= 1--       1.718                  0.177                  0.256
 ROA2   Fr= 1--     -35.684                 18.052                  3.895
 CID2   Fr= 1--     -20.772                102.269                 15.197
 Raman3 Fr= 1--       3.436                  0.353                  0.513
 ROA3   Fr= 1--    -135.275                 59.902                 14.205
 CID3   Fr= 1--     -39.373                169.681                 27.715
 RC180  Fr= 1--       0.014                 -0.214                 -0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.01   0.02  -0.10     0.00   0.01  -0.04
     2   6    -0.01  -0.02   0.10    -0.01  -0.02   0.09    -0.00  -0.00   0.01
     3   6     0.01   0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.01   0.09     0.01   0.01  -0.07    -0.01  -0.01   0.07
     5   6     0.00  -0.00   0.01    -0.01  -0.01   0.05     0.01   0.02  -0.09
     6   6     0.02   0.02  -0.10    -0.01  -0.00   0.03     0.00  -0.01   0.07
     7   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00  -0.01
     8   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.02    -0.01  -0.01  -0.00     0.00   0.00   0.01
    10   1    -0.00  -0.00   0.00     0.01   0.04  -0.01     0.00  -0.02   0.01
    11   1    -0.09  -0.05   0.03     0.02   0.02  -0.01    -0.02  -0.03   0.01
    12   1    -0.09  -0.08   0.06     0.01   0.02  -0.01    -0.03  -0.03   0.03
    13   1    -0.04  -0.02  -0.02     0.00  -0.00   0.02    -0.01  -0.00  -0.02
    14   1     0.02   0.06  -0.10    -0.01   0.00   0.02     0.01   0.01  -0.04
    15   1     0.02   0.05  -0.50    -0.01  -0.04   0.39     0.01   0.04  -0.47
    16   1     0.01   0.02  -0.11     0.02   0.05  -0.27    -0.06  -0.10   0.61
    17   1    -0.06  -0.11   0.61     0.02   0.05  -0.20     0.06   0.07  -0.45
    18   1    -0.02  -0.01   0.04    -0.06  -0.11   0.62    -0.05  -0.07   0.33
    19   1     0.04   0.10  -0.50     0.04   0.10  -0.53     0.01   0.03  -0.16
    20   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.00   0.01  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1018.1085              1025.8200              1055.3457
 Red. masses --      1.5503                 6.1378                 2.3340
 Frc consts  --      0.9468                 3.8055                 1.5316
 IR Inten    --      3.3905                 0.0287                 7.2901
 RamAct Fr= 1--      3.5993                52.1708                30.5936
  Dep-P Fr= 1--      0.4224                 0.0528                 0.0603
  Dep-U Fr= 1--      0.5939                 0.1003                 0.1137
 Alpha2 Fr= 1--      0.0246                 1.0237                 0.5897
 Beta2  Fr= 1--      0.3563                 0.8721                 0.5795
 AlphaG Fr= 1--      0.0131                -0.0198                -0.0562
 Gamma2 Fr= 1--      0.9314                -0.2339                -0.7928
 Delta2 Fr= 1--      0.8874                -0.1203                -0.6597
 Raman1 Fr= 1--      14.397                208.683                122.374
 ROA1   Fr= 1--     117.811                -26.302                -97.218
 CID1   Fr= 1--       8.183                 -0.126                 -0.794
 Raman2 Fr= 1--       4.275                 10.465                  6.955
 ROA2   Fr= 1--      15.254                 -4.650                -13.749
 CID2   Fr= 1--       3.568                 -0.444                 -1.977
 Raman3 Fr= 1--       8.550                 20.930                 13.909
 ROA3   Fr= 1--     117.811                -26.302                -97.218
 CID3   Fr= 1--      13.779                 -1.257                 -6.990
 RC180  Fr= 1--       0.188                 -0.799                 -0.773
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.03   0.05   0.00    -0.05   0.20   0.03
     2   6    -0.01  -0.01   0.01    -0.16  -0.36  -0.08     0.05  -0.06  -0.01
     3   6     0.03   0.01  -0.05    -0.00   0.01   0.01     0.05   0.00   0.01
     4   6    -0.00  -0.00   0.02    -0.21   0.34   0.02     0.05   0.06   0.02
     5   6    -0.02  -0.02  -0.01    -0.01  -0.05  -0.00    -0.03  -0.20  -0.04
     6   6     0.01   0.00  -0.00     0.37   0.02   0.04    -0.14  -0.01  -0.02
     7   6     0.02   0.12   0.02     0.01  -0.00   0.01     0.01   0.00  -0.04
     8   7     0.06  -0.09   0.01     0.00  -0.00  -0.00    -0.02  -0.01   0.00
     9   6    -0.13  -0.01  -0.01     0.02  -0.00  -0.00    -0.02   0.01   0.03
    10   1    -0.08   0.10  -0.07     0.01   0.00  -0.00     0.07  -0.07   0.02
    11   1     0.15   0.35  -0.10    -0.00  -0.00   0.01     0.03  -0.09  -0.00
    12   1     0.27   0.09  -0.11    -0.01   0.01  -0.00    -0.04  -0.11   0.07
    13   1     0.26   0.15  -0.01    -0.02  -0.02   0.03     0.04   0.04  -0.10
    14   1    -0.17  -0.39   0.49     0.02   0.03  -0.04    -0.00  -0.05  -0.01
    15   1     0.02   0.02  -0.11    -0.15   0.39   0.13     0.31   0.22   0.04
    16   1    -0.03  -0.02   0.01     0.03  -0.04  -0.05     0.29  -0.37  -0.01
    17   1     0.00   0.03   0.03     0.38   0.02   0.06    -0.15  -0.01  -0.02
    18   1     0.00   0.02  -0.02     0.01   0.05   0.01     0.26   0.40   0.11
    19   1    -0.01   0.00  -0.04    -0.09  -0.41  -0.08     0.35  -0.20  -0.00
    20   1     0.09  -0.39  -0.02     0.00   0.03   0.00    -0.02   0.17  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1072.7762              1107.0832              1123.3241
 Red. masses --      2.2777                 1.6577                 1.8784
 Frc consts  --      1.5444                 1.1971                 1.3965
 IR Inten    --     20.4139                 3.1311                 3.1838
 RamAct Fr= 1--      9.6434                 0.8943                10.6371
  Dep-P Fr= 1--      0.3856                 0.6752                 0.1111
  Dep-U Fr= 1--      0.5566                 0.8061                 0.2000
 Alpha2 Fr= 1--      0.0751                 0.0012                 0.1812
 Beta2  Fr= 1--      0.8946                 0.1202                 0.3545
 AlphaG Fr= 1--     -0.0497                 0.0090                 0.0189
 Gamma2 Fr= 1--     -0.2717                -1.8694                 0.4138
 Delta2 Fr= 1--      1.0245                -0.8448                -0.4543
 Raman1 Fr= 1--      38.574                  3.577                 42.549
 ROA1   Fr= 1--       6.702               -206.495                 25.192
 CID1   Fr= 1--       0.174                -57.725                  0.592
 Raman2 Fr= 1--      10.735                  1.442                  4.254
 ROA2   Fr= 1--     -14.716                -38.107                 13.566
 CID2   Fr= 1--      -1.371                -26.429                  3.189
 Raman3 Fr= 1--      21.470                  2.884                  8.508
 ROA3   Fr= 1--       6.702               -206.495                 25.192
 CID3   Fr= 1--       0.312                -71.607                  2.961
 RC180  Fr= 1--       0.113                  0.612                 -0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.08  -0.05  -0.00     0.01   0.01   0.00
     2   6    -0.04  -0.02  -0.02    -0.08  -0.05  -0.02     0.06   0.01  -0.00
     3   6     0.02   0.04   0.05    -0.10   0.04   0.00    -0.12  -0.04   0.03
     4   6     0.03  -0.05  -0.02     0.09  -0.02   0.02    -0.06   0.03  -0.02
     5   6    -0.04  -0.01  -0.01    -0.01  -0.04  -0.01     0.06   0.05   0.02
     6   6     0.03   0.05   0.01    -0.04   0.07   0.01    -0.03  -0.05  -0.01
     7   6     0.04   0.18  -0.17    -0.06   0.02   0.04    -0.03   0.14  -0.07
     8   7    -0.02  -0.09   0.00     0.05  -0.01  -0.02     0.06  -0.06  -0.00
     9   6    -0.03  -0.01   0.15     0.05  -0.03  -0.03     0.05  -0.05   0.06
    10   1     0.24  -0.26   0.05    -0.11  -0.06   0.01    -0.09   0.06  -0.05
    11   1     0.15  -0.06  -0.09    -0.16   0.10   0.03    -0.33   0.29  -0.07
    12   1    -0.25  -0.42   0.34    -0.02   0.15  -0.08    -0.20  -0.04   0.10
    13   1    -0.01   0.02  -0.21    -0.13  -0.12   0.16    -0.18  -0.15   0.09
    14   1     0.02  -0.11  -0.13     0.04   0.18  -0.08     0.06   0.19  -0.19
    15   1     0.05  -0.05   0.08     0.48   0.23   0.01    -0.13  -0.01   0.05
    16   1    -0.23   0.09  -0.02    -0.08  -0.02   0.02     0.29  -0.06   0.02
    17   1     0.02   0.26   0.04    -0.06   0.46   0.07    -0.01  -0.31  -0.07
    18   1     0.03  -0.05  -0.01     0.34   0.10   0.06     0.02   0.01   0.02
    19   1    -0.23   0.05   0.06    -0.24   0.02  -0.02     0.37  -0.15   0.02
    20   1    -0.01   0.30  -0.06     0.04  -0.25   0.05     0.09  -0.38  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.6482              1205.2729              1209.3653
 Red. masses --      1.1198                 1.4847                 1.1355
 Frc consts  --      0.9259                 1.2708                 0.9785
 IR Inten    --      0.2356                 5.1110                 1.0457
 RamAct Fr= 1--      3.3469                 1.6447                 8.0144
  Dep-P Fr= 1--      0.7232                 0.4679                 0.7328
  Dep-U Fr= 1--      0.8394                 0.6375                 0.8458
 Alpha2 Fr= 1--      0.0015                 0.0094                 0.0024
 Beta2  Fr= 1--      0.4682                 0.1747                 1.1298
 AlphaG Fr= 1--      0.0000                -0.0046                 0.0078
 Gamma2 Fr= 1--      0.2812                -2.1559                 0.2510
 Delta2 Fr= 1--      0.2818                -0.3803                 0.6233
 Raman1 Fr= 1--      13.388                  6.579                 32.058
 ROA1   Fr= 1--      36.016               -219.139                 44.044
 CID1   Fr= 1--       2.690                -33.310                  1.374
 Raman2 Fr= 1--       5.618                  2.097                 13.557
 ROA2   Fr= 1--       4.495                -48.699                  1.038
 CID2   Fr= 1--       0.800                -23.223                  0.077
 Raman3 Fr= 1--      11.237                  4.194                 27.115
 ROA3   Fr= 1--      36.016               -219.139                 44.044
 CID3   Fr= 1--       3.205                -52.251                  1.624
 RC180  Fr= 1--       0.679                  0.275                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.01     0.02  -0.02  -0.00    -0.04  -0.03  -0.01
     2   6     0.01  -0.01   0.00     0.02  -0.02   0.01     0.05  -0.03   0.00
     3   6    -0.01   0.00  -0.01    -0.09   0.06  -0.05    -0.03   0.00  -0.00
     4   6    -0.01  -0.01  -0.00    -0.04  -0.03  -0.00     0.04   0.03   0.01
     5   6     0.05  -0.02   0.00     0.03   0.02   0.01    -0.04   0.03  -0.00
     6   6    -0.01   0.06   0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
     7   6    -0.00   0.01   0.01    -0.02   0.08   0.10     0.01  -0.00  -0.00
     8   7    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.01  -0.03  -0.03    -0.01  -0.00   0.00
    10   1     0.02  -0.03   0.01     0.18  -0.43   0.12    -0.00   0.00   0.00
    11   1     0.06  -0.01   0.01     0.61  -0.09   0.05     0.05  -0.03   0.00
    12   1     0.01   0.02  -0.01     0.04   0.12  -0.08     0.01   0.01  -0.00
    13   1    -0.00  -0.01   0.01    -0.02  -0.05   0.14     0.02   0.01  -0.01
    14   1    -0.00   0.01   0.01    -0.01   0.11   0.07    -0.01   0.01   0.01
    15   1    -0.15  -0.10  -0.02    -0.08  -0.05  -0.05     0.44   0.28   0.05
    16   1     0.45  -0.23   0.01     0.03   0.02  -0.00    -0.41   0.22  -0.00
    17   1    -0.04   0.63   0.11     0.00  -0.20  -0.03    -0.01  -0.02  -0.00
    18   1    -0.40  -0.25  -0.09     0.18   0.08   0.03    -0.39  -0.25  -0.09
    19   1     0.20  -0.10  -0.00     0.20  -0.12  -0.02     0.47  -0.24  -0.00
    20   1    -0.01   0.03   0.01    -0.08   0.35   0.08     0.00   0.00  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1238.3137              1330.5392              1337.8429
 Red. masses --      2.5220                 1.3551                 4.4957
 Frc consts  --      2.2785                 1.4135                 4.7408
 IR Inten    --      8.3355                 7.9831                 1.3839
 RamAct Fr= 1--     15.9335                11.0253                 1.6577
  Dep-P Fr= 1--      0.0444                 0.3405                 0.0906
  Dep-U Fr= 1--      0.0851                 0.5080                 0.1661
 Alpha2 Fr= 1--      0.3189                 0.0998                 0.0297
 Beta2  Fr= 1--      0.2259                 0.9335                 0.0459
 AlphaG Fr= 1--     -0.1625                -0.0595                 0.0256
 Gamma2 Fr= 1--      1.5937                -1.3519                 0.6723
 Delta2 Fr= 1--      1.0106                -0.8267                 0.1344
 Raman1 Fr= 1--      63.734                 44.101                  6.631
 ROA1   Fr= 1--     185.338               -156.241                 68.840
 CID1   Fr= 1--       2.908                 -3.543                 10.382
 Raman2 Fr= 1--       2.711                 11.202                  0.551
 ROA2   Fr= 1--      30.165                -25.833                 15.059
 CID2   Fr= 1--      11.128                 -2.306                 27.341
 Raman3 Fr= 1--       5.421                 22.404                  1.102
 ROA3   Fr= 1--     185.338               -156.241                 68.840
 CID3   Fr= 1--      34.187                 -6.974                 62.492
 RC180  Fr= 1--      -0.830                  0.016                 -0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.00     0.01   0.02   0.00    -0.19  -0.11  -0.04
     2   6     0.04  -0.00   0.00    -0.01   0.00   0.00     0.17  -0.10  -0.00
     3   6     0.23   0.00   0.04     0.03  -0.02  -0.03     0.04   0.32   0.06
     4   6     0.05   0.02   0.01     0.02   0.01   0.01    -0.12  -0.11  -0.03
     5   6    -0.07  -0.05  -0.02    -0.02   0.00  -0.00     0.17  -0.13  -0.00
     6   6     0.01  -0.01  -0.00     0.00  -0.02  -0.00    -0.01   0.18   0.03
     7   6    -0.17   0.12   0.07    -0.11  -0.09   0.02    -0.07  -0.09  -0.04
     8   7     0.03  -0.06  -0.07     0.01   0.00  -0.01     0.04   0.02   0.03
     9   6     0.05  -0.05  -0.06     0.05   0.04   0.05     0.01   0.02   0.02
    10   1     0.06  -0.40   0.08    -0.07   0.01  -0.01    -0.16   0.25  -0.06
    11   1    -0.45   0.12   0.13     0.51   0.66  -0.39    -0.11   0.07  -0.10
    12   1    -0.07   0.18  -0.11    -0.15  -0.11   0.13    -0.03  -0.01   0.03
    13   1    -0.15  -0.15   0.22    -0.10  -0.01  -0.14    -0.06   0.00  -0.10
    14   1     0.02   0.20   0.02     0.08   0.01  -0.15     0.02  -0.05  -0.06
    15   1    -0.20  -0.14  -0.02    -0.01  -0.01  -0.02    -0.21  -0.17  -0.03
    16   1    -0.26   0.05  -0.02    -0.01  -0.00  -0.00    -0.46   0.18  -0.03
    17   1     0.01  -0.01  -0.00    -0.00   0.03   0.00     0.00  -0.13  -0.02
    18   1    -0.30  -0.09  -0.04    -0.06  -0.02  -0.01     0.30   0.19   0.07
    19   1    -0.08   0.07  -0.00    -0.01   0.01  -0.02     0.11  -0.07   0.00
    20   1    -0.05   0.09   0.14    -0.01  -0.03   0.05     0.06  -0.25   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1361.5267              1406.4366              1413.6672
 Red. masses --      1.4414                 1.2308                 1.3310
 Frc consts  --      1.5743                 1.4345                 1.5672
 IR Inten    --      0.4732                 6.9771                13.0961
 RamAct Fr= 1--      3.4611                 1.2139                 4.6906
  Dep-P Fr= 1--      0.3826                 0.5199                 0.7337
  Dep-U Fr= 1--      0.5535                 0.6841                 0.8464
 Alpha2 Fr= 1--      0.0273                 0.0054                 0.0013
 Beta2  Fr= 1--      0.3193                 0.1384                 0.6617
 AlphaG Fr= 1--     -0.0356                 0.0051                 0.0077
 Gamma2 Fr= 1--      0.0546                 0.0812                -0.5880
 Delta2 Fr= 1--     -0.2715                -0.3317                 1.2985
 Raman1 Fr= 1--      13.844                  4.856                 18.762
 ROA1   Fr= 1--      -3.450                 -2.818                -14.897
 CID1   Fr= 1--      -0.249                 -0.580                 -0.794
 Raman2 Fr= 1--       3.831                  1.661                  7.940
 ROA2   Fr= 1--       3.482                  4.602                -24.501
 CID2   Fr= 1--       0.909                  2.771                 -3.086
 Raman3 Fr= 1--       7.662                  3.322                 15.880
 ROA3   Fr= 1--      -3.450                 -2.818                -14.897
 CID3   Fr= 1--      -0.450                 -0.848                 -0.938
 RC180  Fr= 1--       0.107                  0.368                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.01  -0.02  -0.00
     2   6    -0.10   0.03  -0.01    -0.01   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.01   0.06   0.01     0.00   0.00  -0.00    -0.03   0.01   0.01
     4   6     0.10   0.04   0.02     0.01   0.00   0.00    -0.01  -0.00  -0.00
     5   6    -0.02  -0.00  -0.00    -0.01   0.00   0.00     0.03  -0.00   0.00
     6   6     0.01  -0.10  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.02  -0.02    -0.04   0.01  -0.02     0.11  -0.05   0.05
     8   7     0.01   0.00   0.01     0.01   0.01   0.02    -0.03  -0.02  -0.05
     9   6    -0.01  -0.01   0.01     0.06   0.07  -0.09    -0.01   0.05  -0.04
    10   1    -0.04   0.09  -0.02    -0.04   0.12  -0.02     0.13  -0.24   0.04
    11   1    -0.04  -0.07   0.01     0.18  -0.26   0.05    -0.47   0.56  -0.07
    12   1     0.02   0.06  -0.02    -0.32  -0.38   0.16     0.03  -0.32   0.10
    13   1     0.04   0.02  -0.05    -0.35  -0.16   0.37    -0.02   0.01   0.27
    14   1    -0.00   0.04  -0.04    -0.00  -0.31   0.43    -0.01  -0.15   0.13
    15   1    -0.48  -0.32  -0.07    -0.02  -0.01  -0.01     0.00   0.01   0.00
    16   1    -0.28   0.12  -0.01    -0.01   0.00  -0.00    -0.05   0.04   0.00
    17   1    -0.02   0.31   0.05    -0.00   0.01   0.00    -0.00   0.07   0.01
    18   1     0.25   0.13   0.05    -0.01  -0.00  -0.00     0.10   0.05   0.02
    19   1     0.49  -0.27  -0.00     0.04  -0.02  -0.01     0.10  -0.04   0.00
    20   1     0.01  -0.05   0.01     0.04  -0.13  -0.03    -0.08   0.30   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1483.9408              1491.0866              1498.3194
 Red. masses --      1.7018                 1.2132                 1.0754
 Frc consts  --      2.2080                 1.5892                 1.4224
 IR Inten    --      8.6459                 1.6731                 5.4576
 RamAct Fr= 1--      1.3876                 3.9862                 2.9130
  Dep-P Fr= 1--      0.7378                 0.7395                 0.5719
  Dep-U Fr= 1--      0.8491                 0.8502                 0.7277
 Alpha2 Fr= 1--      0.0003                 0.0007                 0.0098
 Beta2  Fr= 1--      0.1964                 0.5649                 0.3533
 AlphaG Fr= 1--     -0.0033                 0.0065                 0.0145
 Gamma2 Fr= 1--      4.7024                -1.4179                 0.0580
 Delta2 Fr= 1--     -1.5046                -0.0106                 0.5843
 Raman1 Fr= 1--       5.551                 15.945                 11.652
 ROA1   Fr= 1--     403.282               -136.456                 24.268
 CID1   Fr= 1--      72.657                 -8.558                  2.083
 Raman2 Fr= 1--       2.357                  6.778                  4.240
 ROA2   Fr= 1--     124.894                -33.945                 -3.282
 CID2   Fr= 1--      52.998                 -5.008                 -0.774
 Raman3 Fr= 1--       4.713                 13.557                  8.479
 ROA3   Fr= 1--     403.282               -136.456                 24.268
 CID3   Fr= 1--      85.565                -10.066                  2.862
 RC180  Fr= 1--       0.698                  0.700                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.01    -0.05   0.01  -0.00    -0.01   0.01  -0.00
     2   6     0.05   0.05   0.02     0.04   0.02   0.01     0.02  -0.00   0.00
     3   6     0.02  -0.12  -0.02     0.00  -0.06  -0.01     0.00  -0.02  -0.00
     4   6    -0.08   0.03  -0.00    -0.03   0.02   0.00    -0.00   0.01   0.00
     5   6     0.11   0.01   0.01     0.05   0.00   0.01     0.02  -0.00   0.00
     6   6     0.01  -0.09  -0.01    -0.00  -0.05  -0.01    -0.00  -0.01  -0.00
     7   6     0.01   0.02   0.00    -0.02   0.04   0.01    -0.04   0.00  -0.02
     8   7    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.01
     9   6     0.03  -0.03  -0.00    -0.02   0.04   0.02    -0.03  -0.01  -0.03
    10   1     0.05  -0.04   0.01    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    11   1     0.06   0.00  -0.00     0.09  -0.09   0.04     0.12  -0.05  -0.03
    12   1    -0.42   0.18   0.00     0.55  -0.06  -0.05     0.16  -0.45   0.11
    13   1     0.10   0.03  -0.25    -0.31  -0.12   0.19     0.47   0.17   0.46
    14   1    -0.05   0.19   0.33     0.10  -0.39  -0.49    -0.04   0.47  -0.10
    15   1     0.11   0.16   0.03     0.01   0.06   0.01    -0.02   0.01  -0.00
    16   1    -0.22   0.19   0.01    -0.14   0.11   0.00    -0.06   0.04  -0.00
    17   1    -0.02   0.47   0.08    -0.02   0.23   0.04    -0.01   0.07   0.01
    18   1     0.26   0.23   0.07     0.07   0.09   0.03    -0.00   0.02   0.00
    19   1    -0.05   0.12   0.02    -0.05   0.07  -0.00    -0.06   0.03   0.01
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.01     0.02  -0.08   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1535.5593              1627.7437              1650.0400
 Red. masses --      2.1856                 5.4534                 4.4728
 Frc consts  --      3.0364                 8.5132                 7.1750
 IR Inten    --     12.7143                 1.2919                 3.0045
 RamAct Fr= 1--      0.9153                 9.9972                39.3408
  Dep-P Fr= 1--      0.5609                 0.6819                 0.6417
  Dep-U Fr= 1--      0.7187                 0.8108                 0.7817
 Alpha2 Fr= 1--      0.0033                 0.0120                 0.0769
 Beta2  Fr= 1--      0.1096                 1.3510                 5.1258
 AlphaG Fr= 1--     -0.0096                 0.0203                 0.0349
 Gamma2 Fr= 1--     -1.3202                -0.7070                -1.9811
 Delta2 Fr= 1--      0.0421                -0.0597                -0.7125
 Raman1 Fr= 1--       3.661                 39.989                157.363
 ROA1   Fr= 1--    -125.387                -69.778               -212.983
 CID1   Fr= 1--     -34.247                 -1.745                 -1.353
 Raman2 Fr= 1--       1.316                 16.212                 61.509
 ROA2   Fr= 1--     -32.021                -16.490                -41.845
 CID2   Fr= 1--     -24.339                 -1.017                 -0.680
 Raman3 Fr= 1--       2.631                 32.424                123.018
 ROA3   Fr= 1--    -125.387                -69.778               -212.983
 CID3   Fr= 1--     -47.654                 -2.152                 -1.731
 RC180  Fr= 1--       0.437                  0.622                  0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.11  -0.03    -0.06  -0.20  -0.04    -0.24  -0.06  -0.04
     2   6    -0.08   0.09   0.01    -0.10   0.17   0.02     0.27  -0.07   0.02
     3   6     0.14   0.01   0.02     0.00  -0.29  -0.05    -0.19  -0.00  -0.02
     4   6    -0.06  -0.10  -0.02     0.10   0.20   0.04     0.24   0.08   0.04
     5   6    -0.12   0.09   0.00     0.08  -0.21  -0.03    -0.24   0.06  -0.02
     6   6     0.10   0.01   0.01    -0.02   0.36   0.06     0.12  -0.01   0.01
     7   6    -0.04   0.00  -0.01    -0.01   0.04   0.01     0.02  -0.01   0.01
     8   7     0.00   0.00   0.00    -0.01   0.00  -0.00    -0.03   0.02   0.01
     9   6    -0.01   0.00   0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    10   1    -0.03   0.01  -0.00     0.09  -0.03   0.01     0.33  -0.11   0.04
    11   1    -0.01  -0.02   0.00     0.12  -0.02   0.01     0.02   0.04  -0.01
    12   1     0.09  -0.05   0.00     0.02  -0.01   0.00    -0.02   0.00   0.00
    13   1     0.01  -0.00   0.08    -0.02  -0.02   0.03    -0.01  -0.00  -0.01
    14   1     0.01   0.01  -0.09     0.01   0.00  -0.03     0.00  -0.02   0.02
    15   1     0.39   0.17   0.05    -0.33  -0.06  -0.03    -0.25  -0.24  -0.05
    16   1     0.44  -0.18   0.02    -0.25  -0.06  -0.04     0.22  -0.18  -0.00
    17   1     0.13  -0.02   0.01     0.02  -0.49  -0.09     0.13   0.03   0.02
    18   1     0.42   0.20   0.08     0.23  -0.04   0.02     0.19   0.21   0.06
    19   1     0.44  -0.16   0.01     0.29  -0.02   0.02    -0.30   0.22   0.01
    20   1     0.00  -0.02   0.01     0.01  -0.02  -0.05     0.08  -0.19  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1658.2903              3013.5170              3025.4565
 Red. masses --      1.1455                 1.0828                 1.0358
 Frc consts  --      1.8559                 5.7936                 5.5859
 IR Inten    --     42.3108                13.9617                28.9157
 RamAct Fr= 1--      7.0722               159.8207               151.7059
  Dep-P Fr= 1--      0.5185                 0.1574                 0.0309
  Dep-U Fr= 1--      0.6829                 0.2721                 0.0600
 Alpha2 Fr= 1--      0.0320                 2.4243                 3.1351
 Beta2  Fr= 1--      0.8049                 7.2468                 1.5179
 AlphaG Fr= 1--     -0.0240                 2.4916                -1.0833
 Gamma2 Fr= 1--      0.9021                11.1017                 0.0013
 Delta2 Fr= 1--      1.6451                 7.3188                 0.1926
 Raman1 Fr= 1--      28.289                639.283                606.824
 ROA1   Fr= 1--     139.249               1299.963                  6.287
 CID1   Fr= 1--       4.922                  2.033                  0.010
 Raman2 Fr= 1--       9.659                 86.962                 18.214
 ROA2   Fr= 1--       8.491                207.890                 -1.511
 CID2   Fr= 1--       0.879                  2.391                 -0.083
 Raman3 Fr= 1--      19.318                173.923                 36.429
 ROA3   Fr= 1--     139.249               1299.963                  6.287
 CID3   Fr= 1--       7.208                  7.474                  0.173
 RC180  Fr= 1--       0.366                 -0.456                 -0.880
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.03   0.02   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.03  -0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.02  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.02  -0.01   0.02    -0.01  -0.03  -0.07     0.00   0.00   0.01
     8   7    -0.05   0.05   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.03  -0.02   0.04
    10   1     0.66  -0.21   0.08    -0.00  -0.00  -0.02     0.00  -0.00   0.00
    11   1    -0.01   0.04  -0.01     0.17   0.35   0.89    -0.02  -0.05  -0.12
    12   1     0.03   0.01  -0.01    -0.03  -0.07  -0.18    -0.11  -0.22  -0.57
    13   1    -0.01  -0.00   0.01    -0.00   0.01   0.00    -0.20   0.42   0.04
    14   1     0.01   0.00  -0.03     0.01   0.00   0.00     0.60   0.04   0.10
    15   1     0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.02   0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.03  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.04  -0.03  -0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
    20   1     0.17  -0.43  -0.53    -0.00  -0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8138              3100.6079              3161.3301
 Red. masses --      1.1026                 1.1003                 1.0852
 Frc consts  --      6.1982                 6.2323                 6.3902
 IR Inten    --     39.7956                28.3155                 5.8156
 RamAct Fr= 1--     96.9673                48.4416                31.9538
  Dep-P Fr= 1--      0.5676                 0.7035                 0.6693
  Dep-U Fr= 1--      0.7242                 0.8260                 0.8019
 Alpha2 Fr= 1--      0.3343                 0.0392                 0.0457
 Beta2  Fr= 1--     11.7036                 6.6684                 4.2707
 AlphaG Fr= 1--     -0.0576                 0.0141                -0.0833
 Gamma2 Fr= 1--     -8.4006                -4.0546                -1.8460
 Delta2 Fr= 1--     -6.7147                -0.3379                -0.1218
 Raman1 Fr= 1--     387.869                193.766                127.815
 ROA1   Fr= 1--   -1021.330               -400.058               -181.114
 CID1   Fr= 1--      -2.633                 -2.065                 -1.417
 Raman2 Fr= 1--     140.443                 80.021                 51.249
 ROA2   Fr= 1--    -147.897                -94.608                -43.331
 CID2   Fr= 1--      -1.053                 -1.182                 -0.845
 Raman3 Fr= 1--     280.886                160.042                102.498
 ROA3   Fr= 1--   -1021.330               -400.058               -181.114
 CID3   Fr= 1--      -3.636                 -2.500                 -1.767
 RC180  Fr= 1--       0.448                  0.652                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.04   0.00
     2   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.01
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.00   0.00
     7   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.07  -0.02  -0.06     0.05  -0.07  -0.03     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1     0.02   0.05   0.12     0.01   0.02   0.06     0.00   0.00   0.01
    12   1     0.09   0.23   0.62     0.07   0.11   0.33     0.00   0.00   0.01
    13   1    -0.00  -0.04  -0.02    -0.36   0.80   0.06    -0.02   0.05   0.00
    14   1     0.72   0.05   0.10    -0.28  -0.04  -0.05    -0.01  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.04  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.11   0.22   0.05
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.33  -0.01  -0.04
    18   1     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.30  -0.46  -0.05
    19   1    -0.00  -0.00  -0.00    -0.03  -0.06  -0.01     0.31   0.63   0.15
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3169.2611              3179.3424              3192.0255
 Red. masses --      1.0872                 1.0919                 1.0961
 Frc consts  --      6.4339                 6.5028                 6.5802
 IR Inten    --      1.3949                27.3939                19.9980
 RamAct Fr= 1--    120.5839                63.4999               211.1244
  Dep-P Fr= 1--      0.6061                 0.6897                 0.1148
  Dep-U Fr= 1--      0.7547                 0.8163                 0.2060
 Alpha2 Fr= 1--      0.3202                 0.0672                 3.5643
 Beta2  Fr= 1--     15.1680                 8.6395                 7.2470
 AlphaG Fr= 1--     -0.0718                -0.1167                -0.2949
 Gamma2 Fr= 1--      3.5358                -0.0548                -2.0832
 Delta2 Fr= 1--      1.6609                 2.2358                -2.8693
 Raman1 Fr= 1--     482.336                254.000                844.498
 ROA1   Fr= 1--     392.588                 66.282               -291.803
 CID1   Fr= 1--       0.814                  0.261                 -0.346
 Raman2 Fr= 1--     182.016                103.675                 86.964
 ROA2   Fr= 1--      71.572                -19.201                -27.042
 CID2   Fr= 1--       0.393                 -0.185                 -0.311
 Raman3 Fr= 1--     364.033                207.349                173.928
 ROA3   Fr= 1--     392.588                 66.282               -291.803
 CID3   Fr= 1--       1.078                  0.320                 -1.678
 RC180  Fr= 1--       0.509                  0.633                 -0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.03  -0.04  -0.00    -0.03   0.04   0.01
     2   6     0.02   0.04   0.01    -0.02  -0.03  -0.01     0.01   0.02   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.01   0.01   0.00    -0.00   0.01   0.00    -0.01   0.01   0.00
     5   6    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01    -0.01  -0.03  -0.01
     6   6     0.04   0.00   0.01    -0.03   0.00  -0.00    -0.06  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.03  -0.00    -0.01   0.02   0.00     0.00  -0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.08  -0.13  -0.01     0.07  -0.12  -0.01     0.11  -0.17  -0.01
    16   1     0.31   0.62   0.14     0.23   0.45   0.10     0.13   0.27   0.06
    17   1    -0.49  -0.02  -0.06     0.34   0.01   0.04     0.71   0.03   0.08
    18   1     0.00  -0.00   0.00    -0.34   0.52   0.06     0.29  -0.46  -0.05
    19   1    -0.21  -0.42  -0.10     0.20   0.39   0.09    -0.10  -0.19  -0.04
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3207.9651              3472.4785              3554.5498
 Red. masses --      1.0917                 1.0507                 1.0906
 Frc consts  --      6.6195                 7.4647                 8.1188
 IR Inten    --      5.2912                 0.3909                 0.6503
 RamAct Fr= 1--    132.6681               132.6977                88.7435
  Dep-P Fr= 1--      0.1313                 0.0911                 0.5275
  Dep-U Fr= 1--      0.2321                 0.1670                 0.6907
 Alpha2 Fr= 1--      2.1499                 2.3743                 0.3829
 Beta2  Fr= 1--      5.1320                 3.6937                10.2160
 AlphaG Fr= 1--     -0.1673                 1.9676                -0.3391
 Gamma2 Fr= 1--      0.5486                 6.5608                 5.5147
 Delta2 Fr= 1--      0.0242                 3.4309                -1.9528
 Raman1 Fr= 1--     530.672                530.791                354.974
 ROA1   Fr= 1--      53.438                739.628                466.922
 CID1   Fr= 1--       0.101                  1.393                  1.315
 Raman2 Fr= 1--      61.583                 44.325                122.592
 ROA2   Fr= 1--      12.973                130.013                147.975
 CID2   Fr= 1--       0.211                  2.933                  1.207
 Raman3 Fr= 1--     123.167                 88.650                245.185
 ROA3   Fr= 1--      53.438                739.628                466.922
 CID3   Fr= 1--       0.434                  8.343                  1.904
 RC180  Fr= 1--      -0.536                 -0.666                  0.381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.04  -0.07  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01  -0.02  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.03  -0.02  -0.04    -0.06  -0.02  -0.05
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.01     0.04   0.32   0.78    -0.00   0.19   0.49
    11   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.01   0.01
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.51   0.80   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.12   0.23   0.05     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.10   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.03  -0.05  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00   0.00   0.00    -0.50  -0.03  -0.18     0.81   0.06   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   528.039191542.246921943.31143
           X            0.99994   0.01012  -0.00505
           Y           -0.01008   0.99991   0.00830
           Z            0.00513  -0.00825   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16403     0.05616     0.04457
 Rotational constants (GHZ):           3.41782     1.17020     0.92869
 Zero-point vibrational energy     455950.5 (Joules/Mol)
                                  108.97479 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.16   202.72   326.51   361.92   373.66
          (Kelvin)            480.09   570.30   597.59   669.11   746.97
                              859.38   919.27  1026.44  1082.27  1119.39
                             1232.21  1239.71  1323.98  1328.73  1384.57
                             1406.46  1464.83  1475.93  1518.41  1543.49
                             1592.85  1616.21  1704.44  1734.12  1740.01
                             1781.66  1914.35  1924.86  1958.93  2023.55
                             2033.95  2135.06  2145.34  2155.75  2209.33
                             2341.96  2374.04  2385.91  4335.78  4352.96
                             4444.11  4461.08  4548.45  4559.86  4574.36
                             4592.61  4615.55  4996.12  5114.20
 
 Zero-point correction=                           0.173662 (Hartree/Particle)
 Thermal correction to Energy=                    0.182142
 Thermal correction to Enthalpy=                  0.183086
 Thermal correction to Gibbs Free Energy=         0.140222
 Sum of electronic and zero-point Energies=           -366.225232
 Sum of electronic and thermal Energies=              -366.216752
 Sum of electronic and thermal Enthalpies=            -366.215808
 Sum of electronic and thermal Free Energies=         -366.258672
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.296             32.999             90.214
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.850
 Vibrational            112.518             27.038             21.076
 Vibration     1          0.594              1.982              5.343
 Vibration     2          0.615              1.912              2.792
 Vibration     3          0.651              1.800              1.903
 Vibration     4          0.664              1.760              1.720
 Vibration     5          0.668              1.746              1.664
 Vibration     6          0.715              1.608              1.242
 Vibration     7          0.763              1.478              0.976
 Vibration     8          0.779              1.437              0.908
 Vibration     9          0.823              1.328              0.752
 Vibration    10          0.874              1.208              0.612
 Vibration    11          0.955              1.038              0.454
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.317921D-64        -64.497680       -148.511397
 Total V=0       0.240658D+16         15.381401         35.416985
 Vib (Bot)       0.134797D-77        -77.870319       -179.303036
 Vib (Bot)    1  0.539747D+01          0.732190          1.685930
 Vib (Bot)    2  0.144279D+01          0.159203          0.366580
 Vib (Bot)    3  0.869067D+00         -0.060947         -0.140335
 Vib (Bot)    4  0.775309D+00         -0.110525         -0.254494
 Vib (Bot)    5  0.747992D+00         -0.126103         -0.290363
 Vib (Bot)    6  0.558688D+00         -0.252830         -0.582164
 Vib (Bot)    7  0.450847D+00         -0.345971         -0.796627
 Vib (Bot)    8  0.424249D+00         -0.372380         -0.857436
 Vib (Bot)    9  0.364206D+00         -0.438652         -1.010035
 Vib (Bot)   10  0.311141D+00         -0.507042         -1.167508
 Vib (Bot)   11  0.250686D+00         -0.600869         -1.383553
 Vib (V=0)       0.102038D+03          2.008762          4.625346
 Vib (V=0)    1  0.592058D+01          0.772364          1.778434
 Vib (V=0)    2  0.202697D+01          0.306848          0.706544
 Vib (V=0)    3  0.150264D+01          0.176854          0.407221
 Vib (V=0)    4  0.142255D+01          0.153068          0.352453
 Vib (V=0)    5  0.139972D+01          0.146041          0.336271
 Vib (V=0)    6  0.124976D+01          0.096825          0.222948
 Vib (V=0)    7  0.117325D+01          0.069390          0.159776
 Vib (V=0)    8  0.115573D+01          0.062858          0.144735
 Vib (V=0)    9  0.111858D+01          0.048669          0.112064
 Vib (V=0)   10  0.108890D+01          0.036990          0.085172
 Vib (V=0)   11  0.105932D+01          0.025029          0.057631
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.450326D+06          5.653527         13.017727
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333 33                                              111 1111 11111 1111111111                                    
     5  4       2111110 00                                              666 5444 44333 2221110000999988  777  65  5 443  3222  1     
     5  7       0976608 21                                              552 3998 10633 3008207521762265  751  39  1 619  3652  4   3 
     5  2       8299119 54                                              808 6814 46281 8955373568824026  823  97  9 556  4027  1   8 
 
     X  X       XXXXXXX XX                                              XXX XXXX XXXXX XXXXXXXX XXXXXXX  XXX   X  X X X  XXXX  X   X 
                 XX  XX XX                                              X   X  X X   X X     X      XXX  XXX   X      X   XX         
                 XX  XX XX                                              X   X    X           X      XXX  XXX              XX         
                 XX  XX X                                               X                    X      XX   X X               X         
                  X  XX X                                               X                            X     X               X         
                  X  XX X                                               X                            X     X               X         
                      X                                                 X                            X     X                         
                      X                                                 X                            X     X                         
                                                                        X                            X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000019142   -0.000008689   -0.000002759
      2        6           0.000019496   -0.000009202    0.000000084
      3        6          -0.000005228    0.000026183    0.000008564
      4        6          -0.000009708   -0.000006748    0.000002181
      5        6           0.000017954   -0.000014374   -0.000002234
      6        6          -0.000003754    0.000020646    0.000002007
      7        6           0.000013547   -0.000023370   -0.000003121
      8        7          -0.000004167    0.000013031   -0.000006605
      9        6          -0.000000210    0.000004249   -0.000004161
     10        1          -0.000001731   -0.000001449    0.000008296
     11        1          -0.000002998    0.000001177   -0.000001633
     12        1           0.000001379   -0.000000241    0.000001918
     13        1           0.000002069    0.000002363   -0.000000501
     14        1           0.000000902    0.000000221    0.000000946
     15        1           0.000001241   -0.000003242   -0.000003045
     16        1          -0.000001187   -0.000000087   -0.000000091
     17        1          -0.000000722   -0.000000555    0.000000446
     18        1           0.000001207    0.000001662   -0.000002758
     19        1          -0.000002758    0.000000707   -0.000000261
     20        1          -0.000006191   -0.000002281    0.000002726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000026183 RMS     0.000008194
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136072D+03  0.823255D+00  0.225005D+01
      2   0.823255D+00  0.112437D+03  0.404126D+01
      3   0.225005D+01  0.404126D+01  0.756063D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.548229D+00 -0.480627D+00  0.246874D+01
      2   0.121506D+02  0.115743D+02 -0.703139D+01
      3   0.600387D+00 -0.309975D+02 -0.118248D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.668901D+02  0.288477D+01  0.772227D+01
      2  -0.284816D+02 -0.672795D+01 -0.123241D+02
      3  -0.384084D+02  0.384318D+01  0.460180D+01
      4  -0.137736D+02  0.515770D+02  0.269621D+02
      5   0.201897D+02  0.286247D+02 -0.191176D+02
      6   0.904042D+01  0.618861D+01 -0.691062D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.278309D+01 -0.394962D+00 -0.537524D+00 -0.627358D+01 -0.224152D+00
      2  -0.394962D+00  0.312308D+01  0.856848D+00 -0.224152D+00 -0.104713D+01
      3  -0.537524D+00  0.856848D+00  0.176667D+01 -0.853500D+00  0.103292D+01
                 6             7             8             9            10 
      1  -0.853500D+00 -0.211023D+01 -0.207581D+00  0.296267D+01  0.383669D+01
      2   0.103292D+01 -0.207581D+00  0.145803D+01 -0.348521D+01  0.210376D+01
      3  -0.247884D+01  0.296267D+01 -0.348521D+01 -0.123119D+01  0.638657D+00
                11            12            13            14            15 
      1   0.210376D+01  0.638657D+00 -0.717871D+01 -0.862402D+00  0.130187D+00
      2  -0.351604D+01  0.118016D+00 -0.862402D+00 -0.183744D+01  0.878433D+00
      3   0.118016D+00 -0.151237D+01  0.130187D+00  0.878433D+00 -0.155849D+01
                16            17            18            19            20 
      1  -0.108699D+00  0.857743D+00 -0.811801D+00 -0.171906D+02 -0.251180D+01
      2   0.857743D+00  0.412032D+00 -0.331575D+01 -0.251180D+01 -0.271377D+01
      3  -0.811801D+00 -0.331575D+01 -0.232632D+01 -0.768548D+00 -0.268920D+00
                21            22            23            24            25 
      1  -0.768548D+00 -0.323469D+01  0.169245D+01  0.107542D+01 -0.719061D+00
      2  -0.268920D+00  0.169245D+01  0.608137D-03  0.419298D-01  0.898601D+00
      3  -0.202674D+01  0.107542D+01  0.419298D-01 -0.437059D+00 -0.369602D+01
                26            27            28            29            30 
      1   0.898601D+00 -0.369602D+01  0.539798D+01 -0.988878D+00  0.402175D+00
      2   0.877217D-01 -0.496977D+00 -0.988878D+00 -0.381338D+01 -0.910700D+00
      3  -0.496977D+00 -0.139726D+01  0.402175D+00 -0.910700D+00 -0.218789D+01
                31            32            33            34            35 
      1   0.874303D+01 -0.173801D+00  0.889531D-01  0.285637D+01 -0.207482D+00
      2  -0.173801D+00  0.201208D+01 -0.449153D+00 -0.207482D+00 -0.100365D+01
      3   0.889531D-01 -0.449153D+00  0.194008D+01 -0.168457D+01  0.346187D+01
                36            37            38            39            40 
      1  -0.168457D+01 -0.370441D+01 -0.155993D+00 -0.561565D+00  0.561063D+01
      2   0.346187D+01 -0.155993D+00  0.326480D+01 -0.154728D+00  0.210360D+00
      3   0.930090D+00 -0.561565D+00 -0.154728D+00  0.112793D+01 -0.162769D+00
                41            42            43            44            45 
      1   0.210360D+00 -0.162769D+00  0.228332D+00 -0.903531D+00  0.230588D+01
      2   0.138062D+01 -0.853128D+00 -0.903531D+00 -0.752278D+00  0.390312D+01
      3  -0.853128D+00  0.241569D+01  0.230588D+01  0.390312D+01  0.250474D+01
                46            47            48            49            50 
      1   0.667479D+01  0.333405D+00 -0.597833D+00  0.964605D+00 -0.983644D+00
      2   0.333405D+00  0.337512D+01  0.317491D-01 -0.983644D+00 -0.917241D-01
      3  -0.597833D+00  0.317491D-01  0.320719D+01 -0.121418D+01 -0.347589D+00
                51            52            53            54            55 
      1  -0.121418D+01 -0.333814D+00 -0.115877D+01  0.546272D+01  0.354824D+01
      2  -0.347589D+00 -0.115877D+01  0.324070D+00  0.746044D-01  0.192365D+01
      3  -0.844980D-01  0.546272D+01  0.746044D-01  0.129076D+01 -0.523284D-02
                56            57            58            59            60 
      1   0.192365D+01 -0.523284D-02  0.645952D+01  0.467423D+01 -0.121571D+01
      2   0.321526D+01 -0.159323D+01  0.467423D+01  0.701305D+00 -0.350101D+00
      3  -0.159323D+01  0.198459D+01 -0.121571D+01 -0.350101D+00  0.419711D+01
                61            62            63            64            65 
      1   0.692223D-01 -0.177475D+01  0.364760D+01  0.927263D+01  0.473770D+00
      2  -0.177475D+01 -0.223183D+01  0.424253D+01  0.473770D+00 -0.158434D+01
      3   0.364760D+01  0.424253D+01  0.500929D+01  0.126980D+01  0.121290D+01
                66            67            68            69            70 
      1   0.126980D+01  0.602702D+00 -0.230335D+01  0.164479D+01  0.184418D+01
      2   0.121290D+01 -0.230335D+01  0.266826D+01 -0.126008D+01  0.136738D+01
      3  -0.172028D+00  0.164479D+01 -0.126008D+01 -0.228764D+01  0.934122D-01
                71            72            73            74            75 
      1   0.136738D+01  0.934122D-01  0.879308D+01  0.915868D+00  0.171962D+01
      2  -0.938120D+00 -0.159490D+01  0.915868D+00 -0.400671D+01  0.135649D+01
      3  -0.159490D+01 -0.472126D+01  0.171962D+01  0.135649D+01 -0.197580D+01
                76            77            78            79            80 
      1  -0.278851D+01 -0.408199D+01  0.176709D+01  0.494732D+01  0.234234D+01
      2  -0.408199D+01  0.300330D+01  0.730054D+00  0.234234D+01  0.235097D+01
      3   0.176709D+01  0.730054D+00 -0.340085D+01 -0.210130D+01 -0.337969D+01
                81            82            83            84            85 
      1  -0.210130D+01  0.101591D-01  0.395283D+00  0.404392D+00  0.119658D+01
      2  -0.337969D+01  0.395283D+00  0.104117D+00 -0.259075D+00 -0.726276D+00
      3  -0.425517D+01  0.404392D+00 -0.259075D+00  0.393145D+00 -0.765942D+00
                86            87            88            89            90 
      1  -0.726276D+00 -0.765942D+00  0.208346D+01 -0.112259D+01 -0.102170D+01
      2   0.218864D+01  0.979452D+00 -0.112259D+01  0.228329D+01  0.257307D+01
      3   0.979452D+00  0.264442D+01 -0.102170D+01  0.257307D+01  0.484150D+01
                91            92            93            94            95 
      1  -0.192402D+01 -0.695150D+00 -0.162204D+01 -0.265234D+01 -0.162742D+01
      2  -0.695150D+00 -0.724772D+00 -0.217705D+00 -0.162742D+01 -0.127040D+01
      3  -0.162204D+01 -0.217705D+00 -0.141355D+01 -0.549507D+00 -0.140432D+01
                96            97            98            99           100 
      1  -0.549507D+00 -0.423007D+01 -0.503072D+00 -0.283279D+01 -0.407008D+00
      2  -0.140432D+01 -0.503072D+00 -0.144889D+01 -0.197583D+01  0.350514D-01
      3  -0.224975D+01 -0.283279D+01 -0.197583D+01 -0.722311D+01  0.609268D+00
               101           102           103           104           105 
      1   0.350514D-01  0.609268D+00  0.969236D+00  0.212847D+00 -0.503141D+00
      2   0.588716D+00 -0.142679D+00  0.212847D+00  0.341262D+00  0.887638D+00
      3  -0.142679D+00  0.107145D+01 -0.503141D+00  0.887638D+00  0.222264D+01
               106           107           108           109           110 
      1   0.121161D+01  0.118889D+00 -0.514208D+00  0.689779D+00 -0.837435D+00
      2   0.118889D+00  0.133738D+01  0.501036D+00 -0.837435D+00  0.211148D+01
      3  -0.514208D+00  0.501036D+00  0.714139D+01 -0.300850D+00 -0.470259D+00
               111           112           113           114           115 
      1  -0.300850D+00 -0.188284D+01  0.770739D+00  0.932623D-01 -0.626875D+00
      2  -0.470259D+00  0.770739D+00 -0.816219D+01  0.726007D+00 -0.300062D+00
      3   0.656119D+00  0.932623D-01  0.726007D+00 -0.114924D+01  0.268162D+00
               116           117           118           119           120 
      1  -0.300062D+00  0.268162D+00 -0.128891D+02 -0.249542D+01  0.670923D-01
      2  -0.234504D+00 -0.628918D+00 -0.249542D+01 -0.146072D+01  0.156024D+00
      3  -0.628918D+00  0.413929D+00  0.670923D-01  0.156024D+00 -0.118334D+01
               121           122           123           124           125 
      1  -0.655259D+00 -0.109990D+01 -0.198415D+00 -0.233314D+01 -0.493304D+00
      2  -0.109990D+01 -0.988218D+00 -0.591821D-01 -0.493304D+00 -0.650246D+00
      3  -0.198415D+00 -0.591821D-01  0.207474D+00 -0.100446D+01 -0.107978D-02
               126           127           128           129           130 
      1  -0.100446D+01 -0.582497D+01  0.221641D+01 -0.318674D+00  0.182921D+01
      2  -0.107978D-02  0.221641D+01 -0.221243D+01 -0.183979D+00 -0.254252D+01
      3   0.299762D-01 -0.318674D+00 -0.183979D+00 -0.113807D+00 -0.245663D+00
               131           132           133           134           135 
      1  -0.254252D+01 -0.245663D+00 -0.795114D+00 -0.320785D-01  0.753123D-02
      2   0.657093D+01  0.478158D+00 -0.320785D-01  0.434517D+00  0.279698D-01
      3   0.478158D+00  0.714154D+00  0.753123D-02  0.279698D-01 -0.649937D-01
               136           137           138           139           140 
      1   0.282780D+01  0.293295D+01  0.727613D+00  0.270824D+01  0.407072D+01
      2   0.293295D+01  0.312023D+01  0.745479D+00  0.407072D+01  0.847948D+01
      3   0.727613D+00  0.745479D+00  0.544113D+00  0.837549D+00  0.163129D+01
               141           142           143           144           145 
      1   0.837549D+00  0.748427D+00  0.991243D+00  0.230310D+00  0.131038D+02
      2   0.163129D+01  0.991243D+00  0.177656D+01  0.273820D+00  0.376952D+00
      3   0.105494D+01  0.230310D+00  0.273820D+00  0.185375D+00  0.129803D+01
               146           147           148           149           150 
      1   0.376952D+00  0.129803D+01  0.292496D+00  0.153621D+01  0.348465D+00
      2   0.722832D+00  0.244900D-01  0.153621D+01  0.137906D+00  0.158734D+00
      3   0.244900D-01  0.921931D+00  0.348465D+00  0.158734D+00  0.992477D-01
               151           152           153           154           155 
      1   0.157253D+01  0.366296D+00 -0.259212D-01  0.392272D+01 -0.348997D+01
      2   0.366296D+00  0.901241D-01  0.271036D-01 -0.348997D+01  0.347695D+01
      3  -0.259212D-01  0.271036D-01  0.110987D+00 -0.322987D+00  0.281502D+00
               156           157           158           159           160 
      1  -0.322987D+00 -0.335182D+01  0.443693D+01  0.631555D+00 -0.255448D+00
      2   0.281502D+00  0.443693D+01 -0.739357D+01 -0.900741D+00  0.436133D+00
      3   0.458051D+00  0.631555D+00 -0.900741D+00 -0.783095D+00 -0.116449D-01
               161           162           163           164           165 
      1   0.436133D+00 -0.116449D-01 -0.216464D+01 -0.192545D+01 -0.369305D+00
      2  -0.102611D+01 -0.120551D+00 -0.192545D+01 -0.201117D+01 -0.630936D+00
      3  -0.120551D+00 -0.120693D+00 -0.369305D+00 -0.630936D+00 -0.369793D+00
               166           167           168           169           170 
      1  -0.187951D+01 -0.238115D+01 -0.515674D+00 -0.500127D+00 -0.729125D+00
      2  -0.238115D+01 -0.712508D+01 -0.166078D+01 -0.729125D+00 -0.166001D+01
      3  -0.515674D+00 -0.166078D+01 -0.109437D+01 -0.160964D+00 -0.456770D+00
               171           172           173           174           175 
      1  -0.160964D+00 -0.111898D+02  0.178796D+01 -0.173210D+01  0.521035D+00
      2  -0.456770D+00  0.178796D+01 -0.105925D+01  0.487063D-01 -0.597884D+00
      3  -0.319259D+00 -0.173210D+01  0.487063D-01 -0.117585D+01 -0.392770D+00
               176           177           178           179           180 
      1  -0.597884D+00 -0.392770D+00 -0.354888D+01  0.537242D-01 -0.111290D+01
      2   0.431359D+00 -0.259539D+00  0.537242D-01 -0.609044D+00  0.370565D+00
      3  -0.259539D+00  0.280715D-01 -0.111290D+01  0.370565D+00 -0.798770D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111443D+01 -0.390643D+00  0.315402D+01 -0.127817D+01  0.415605D+00
      2  -0.730704D+00  0.256330D+01  0.211070D+01 -0.810059D+00  0.337691D+01
      3  -0.177317D+01 -0.141312D+02 -0.247511D+01  0.397991D+01 -0.714336D+00
                 6             7             8             9            10 
      1  -0.287380D+01  0.680888D+01  0.268611D+01  0.973371D+00 -0.397760D-01
      2  -0.663836D+01 -0.548723D+01 -0.102714D+02 -0.378932D+01  0.322433D+01
      3  -0.239481D+01 -0.215064D+00 -0.444627D+01  0.393793D+01  0.132736D-02
                11            12            13            14            15 
      1   0.111447D+01 -0.279605D+01  0.122252D+01 -0.711757D+00 -0.292693D+01
      2   0.143521D+01 -0.140901D+01  0.110500D+01 -0.156761D+01 -0.142286D+01
      3  -0.841040D+00 -0.152325D+01  0.114302D+01  0.788094D+01  0.221106D+00
                16            17            18            19            20 
      1  -0.555138D+01  0.214435D+01 -0.971516D+00  0.790448D+00 -0.630934D+00
      2  -0.135498D+02 -0.112926D+01 -0.261921D+01  0.170453D+00 -0.152160D+01
      3  -0.459157D+01 -0.433181D-01  0.586208D+01 -0.677595D+01  0.747007D+01
                21            22            23            24            25 
      1  -0.774958D+00 -0.296179D+01 -0.145840D+01  0.165087D+01  0.107725D+01
      2  -0.159502D+01 -0.162165D+01  0.549117D+00  0.752426D+00 -0.135305D+02
      3   0.569702D+00  0.155619D+02  0.392049D-01  0.404660D+00 -0.214363D-01
                26            27            28            29            30 
      1   0.104819D+02  0.216248D+01 -0.125047D+01 -0.209625D+00  0.342162D+01
      2   0.639441D+00 -0.668119D+00  0.236353D+01 -0.225860D+00 -0.124256D+01
      3   0.277544D+01 -0.888885D+00  0.904788D+01 -0.384865D+00  0.189555D+01
                31            32            33            34            35 
      1  -0.911409D+00 -0.134276D+00 -0.277463D+01  0.501750D+01  0.213050D+01
      2   0.356245D+01  0.125384D+01  0.706026D+00 -0.130259D+02  0.341694D+00
      3   0.704508D+01 -0.611552D+01  0.117244D+00  0.238639D+01 -0.141187D+00
                36            37            38            39            40 
      1   0.393909D-01  0.998523D+00  0.624970D+00 -0.202229D+01  0.109098D+01
      2  -0.337496D+00 -0.123464D+00  0.121131D+01 -0.599713D-01  0.859389D+00
      3  -0.518598D+01 -0.316285D+01 -0.105808D+02 -0.220718D+01  0.507290D+01
                41            42            43            44            45 
      1   0.136743D+00 -0.347494D+01 -0.557883D+01  0.180049D+01 -0.137707D+01
      2  -0.295594D+01  0.690091D+01 -0.761934D+01  0.982818D+01  0.378700D+01
      3  -0.254234D+01  0.174130D+01 -0.640333D+00  0.110398D+01 -0.522922D+01
                46            47            48            49            50 
      1   0.175630D+00 -0.833832D+00 -0.668863D+00 -0.136080D+01 -0.281032D+01
      2  -0.306182D+00 -0.369459D+00  0.950132D+01 -0.364312D+01 -0.362025D+00
      3   0.669615D+00 -0.787906D+01  0.478740D+00  0.119423D+02  0.344259D+01
                51            52            53            54            55 
      1   0.303721D+01 -0.955320D+00  0.112280D+02  0.262859D+01 -0.194116D+01
      2  -0.601044D+00  0.888761D+01  0.420613D+00  0.274259D+01  0.159476D+01
      3   0.200177D+01  0.348132D+01  0.114499D+01  0.111560D+01  0.670951D+01
                56            57            58            59            60 
      1  -0.215799D+00  0.146714D+00 -0.239441D+01 -0.954503D+00  0.153413D+01
      2   0.284008D+01 -0.254470D+01  0.391095D+01  0.247836D+01 -0.635574D+01
      3   0.383757D+01 -0.197959D+01  0.131706D+02 -0.470457D+01  0.809365D+00
                61            62            63            64            65 
      1   0.413823D+01  0.677655D+01 -0.981577D+00 -0.334716D+01 -0.162436D+01
      2  -0.132274D+02 -0.854449D+01 -0.771134D+01  0.201576D+00 -0.198300D+01
      3  -0.130938D+01 -0.561382D+01  0.866313D+01  0.224253D+02 -0.982193D+01
                66            67            68            69            70 
      1   0.646851D+00 -0.997633D+00 -0.104379D+01 -0.237065D+00 -0.442497D+01
      2   0.457794D+01 -0.211575D+01  0.200417D+01  0.526928D+01 -0.356911D+01
      3   0.577282D+01  0.336705D+01  0.551270D+01 -0.205293D+01  0.617008D+01
                71            72            73            74            75 
      1   0.813280D+01  0.958468D+01  0.436736D+01 -0.192678D+01 -0.235053D+01
      2   0.606425D+01  0.106425D+02 -0.115765D+02 -0.530916D+01  0.677418D+01
      3  -0.117920D+01 -0.471430D+01 -0.950417D+01 -0.166680D+02  0.124764D+01
                76            77            78            79            80 
      1   0.309682D+00  0.894194D+01 -0.742169D+01 -0.130834D+01 -0.282248D+01
      2  -0.660443D+01 -0.224191D-01  0.733685D+01  0.187972D+01  0.738882D+01
      3  -0.100491D+02  0.182438D+02 -0.767236D-02  0.198818D+01  0.214680D+01
                81            82            83            84            85 
      1  -0.775754D+01 -0.444341D+00  0.557093D+00 -0.510736D+00  0.151439D+01
      2   0.122351D+02 -0.164513D+01  0.905651D+00 -0.627074D+00  0.181380D+01
      3  -0.703919D+01  0.189034D+01  0.650156D+00 -0.589491D-01  0.902819D+00
                86            87            88            89            90 
      1  -0.222866D+01 -0.601787D+01  0.263483D+01 -0.305375D+01 -0.109969D+02
      2  -0.260346D+01 -0.689548D+01  0.261534D-01 -0.676604D+01 -0.113952D+02
      3   0.457662D+01  0.162828D+01  0.940200D+00  0.589843D+01  0.636593D+01
                91            92            93            94            95 
      1  -0.871816D+00  0.121233D+01 -0.463299D+00  0.125022D+01  0.700381D+00
      2   0.160188D+01  0.448014D+00  0.299510D+01 -0.303024D+00  0.135483D+01
      3  -0.155306D+01 -0.383690D+01 -0.332898D+00 -0.159084D+01 -0.149162D+01
                96            97            98            99           100 
      1  -0.129384D+01 -0.123426D+01  0.211727D+01 -0.122456D+01  0.771330D+00
      2   0.409128D+01  0.996646D+00  0.322448D+01  0.119057D+02 -0.183204D+01
      3  -0.321591D+01  0.143193D+00 -0.312681D+01 -0.437224D+01  0.651119D+00
               101           102           103           104           105 
      1   0.992576D+00  0.112605D+01  0.779973D-01  0.212124D+01  0.214044D+01
      2   0.780191D-01 -0.232524D+01 -0.207694D+00 -0.238928D+01 -0.530809D+01
      3   0.110761D+01 -0.741204D+00  0.123906D+01  0.565966D+00  0.226824D+01
               106           107           108           109           110 
      1  -0.330607D+00  0.490800D+01  0.102653D+02 -0.186530D+01  0.167751D+01
      2  -0.317982D+01 -0.193671D+01 -0.175350D+02 -0.134270D+00  0.160703D+01
      3  -0.120995D+01  0.357306D+01  0.218506D+01 -0.667023D+01  0.742388D+01
               111           112           113           114           115 
      1   0.164528D+01  0.171130D+01 -0.602821D+01 -0.360359D+01  0.780083D+00
      2  -0.106825D+01  0.146788D+01 -0.278780D+01  0.198336D+01 -0.151368D+01
      3  -0.126461D+00  0.976110D+01 -0.227242D+02  0.139306D+01  0.116983D+01
               116           117           118           119           120 
      1  -0.136235D+00  0.484107D+00 -0.550159D+00 -0.806561D+00 -0.210813D+01
      2   0.107311D+01 -0.918641D+00  0.731573D+01  0.785029D+00  0.682061D+01
      3  -0.747676D+00 -0.206951D+01  0.100887D+02 -0.481206D+01  0.624969D+00
               121           122           123           124           125 
      1  -0.467296D+00 -0.796642D+00 -0.405034D+00 -0.126532D+01  0.703496D+00
      2   0.136052D+01  0.567860D+00 -0.227645D+00  0.199283D+01 -0.205676D+00
      3   0.107439D+00 -0.218955D+01 -0.185849D+00  0.545848D+00 -0.120865D+01
               126           127           128           129           130 
      1   0.129374D-01  0.177456D+01 -0.349353D+00  0.142562D+01  0.139826D+00
      2   0.327966D+00  0.147746D+01 -0.757388D-01 -0.625313D-01 -0.395729D+00
      3   0.136834D+01 -0.181362D+02  0.492886D+01 -0.109911D+01  0.675398D+01
               131           132           133           134           135 
      1  -0.550631D-01 -0.333314D+01 -0.276215D+00  0.190587D+01  0.225844D+00
      2   0.775649D+00 -0.859482D+00 -0.142817D+01  0.379088D+00 -0.137590D+00
      3  -0.618935D+01 -0.800463D+00 -0.204592D+01  0.223021D+00 -0.569445D-01
               136           137           138           139           140 
      1  -0.271419D+00 -0.286780D-01 -0.190143D+01 -0.151319D+00  0.448394D+00
      2   0.540241D+00  0.876169D+00  0.213177D+01  0.714895D+00  0.261653D+01
      3  -0.101391D+01 -0.342114D+01 -0.523466D+00 -0.192167D+01 -0.129627D+02
               141           142           143           144           145 
      1  -0.404444D+01  0.611419D+00  0.200865D+01 -0.497511D+00 -0.122420D+00
      2   0.332146D+01 -0.662421D+00 -0.293851D+00  0.498680D+00  0.190724D+01
      3  -0.223397D+01 -0.336428D+00 -0.247985D+01 -0.170992D+00  0.362054D+00
               146           147           148           149           150 
      1   0.433574D+00 -0.203499D+00  0.219586D+00  0.378377D-02 -0.403835D+00
      2  -0.780703D-01  0.625349D+01  0.132597D+01  0.333448D+00  0.398796D+00
      3  -0.533908D+01  0.185700D+00 -0.376338D+01 -0.250880D+00 -0.382813D+00
               151           152           153           154           155 
      1   0.470537D-01  0.523671D+00 -0.100935D-01  0.258213D+00 -0.579986D+00
      2  -0.290533D+01  0.389115D-01  0.561722D+00  0.272833D+00 -0.305852D+00
      3  -0.126358D+01 -0.538185D+00 -0.268854D+00  0.117777D+01 -0.466159D+01
               156           157           158           159           160 
      1   0.205527D+01  0.246122D+00  0.190062D+00 -0.366084D+01 -0.903796D+00
      2   0.232798D+01  0.458254D+00 -0.102413D+01 -0.307258D+01 -0.899124D+00
      3  -0.582029D-01 -0.299244D+01  0.120372D+02  0.108050D+01 -0.623868D+00
               161           162           163           164           165 
      1   0.170494D+01 -0.283300D+00  0.797042D+00  0.307722D+00 -0.156050D+01
      2   0.727801D+00 -0.267044D+00 -0.167473D+01 -0.947336D+00  0.327242D+00
      3   0.196692D+01  0.175358D+00  0.802462D+01  0.427328D+01  0.658310D+00
               166           167           168           169           170 
      1   0.654920D+00  0.964048D+00 -0.363868D+01  0.352615D+00  0.234173D+01
      2  -0.165048D+01 -0.162877D+01  0.515006D+00 -0.179540D+01 -0.475191D+00
      3   0.789221D+01  0.790295D+01  0.187377D+01  0.132765D+01  0.231783D+01
               171           172           173           174           175 
      1  -0.391434D+00  0.188534D+01  0.676308D+00  0.173886D+01  0.960703D+00
      2   0.203476D+00 -0.152240D+01  0.871064D-01  0.491860D+01  0.772829D+00
      3   0.259567D+00 -0.128708D+02 -0.353541D+01 -0.232659D+01  0.421043D+00
               176           177           178           179           180 
      1   0.278592D+00 -0.569092D-01  0.773132D+00  0.639730D+00  0.133402D+00
      2   0.307166D-01  0.105880D+00  0.567167D+00 -0.914113D+00  0.135031D+01
      3   0.933995D-01 -0.114088D+01 -0.589516D+01 -0.162552D+01  0.631300D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.162891D+01  0.238449D+02  0.509189D+01 -0.271865D+02  0.690249D+01
      2  -0.364751D+01 -0.142734D+02  0.525638D+00  0.264474D+02 -0.113517D+02
      3   0.201860D+01 -0.957145D+01 -0.561753D+01  0.739042D+00  0.444923D+01
      4   0.186578D+02  0.377004D+01  0.494361D+01  0.794267D+01  0.106009D+02
      5   0.379054D+00  0.458425D+01  0.467441D+01 -0.275593D+01  0.767981D+01
      6   0.253841D+01 -0.262524D+01 -0.739986D+01  0.644977D+01 -0.579563D+01
                 6             7             8             9            10 
      1   0.157111D+01 -0.814637D+01  0.637460D+01  0.457676D+00  0.834460D+01
      2  -0.161676D+01  0.899275D+01 -0.856012D+01 -0.727980D+01 -0.692818D+01
      3   0.456498D-01 -0.846377D+00  0.218552D+01  0.682213D+01 -0.141642D+01
      4   0.849603D+01  0.255496D+01  0.687448D+01 -0.150762D+02 -0.117556D+02
      5  -0.138588D+02  0.192348D+02 -0.152365D+02 -0.808721D+01 -0.136892D+00
      6   0.696708D+01 -0.744056D+01  0.137112D+02 -0.410536D+00 -0.264525D+01
                11            12            13            14            15 
      1  -0.145795D+02 -0.375335D-01  0.232750D+01  0.628377D+01  0.438843D+01
      2   0.110846D+02 -0.184140D+01 -0.917608D+01 -0.950889D+01 -0.600374D+01
      3   0.349488D+01  0.187893D+01  0.684858D+01  0.322512D+01  0.161531D+01
      4  -0.186398D+02 -0.438502D+01  0.113019D+02 -0.124788D+02 -0.158498D+01
      5  -0.433642D+01 -0.478146D+01  0.104567D+01 -0.170584D+01 -0.114701D+01
      6  -0.250242D+01  0.607300D+01 -0.486376D+01 -0.883847D+01  0.404575D+01
                16            17            18            19            20 
      1   0.202999D+01  0.105853D+01 -0.159540D+02 -0.231457D+02 -0.389534D+00
      2  -0.410992D+01 -0.671066D+01  0.729927D+00  0.843297D+01  0.527733D+00
      3   0.207993D+01  0.565214D+01  0.152241D+02  0.147128D+02 -0.138198D+00
      4   0.403773D+00 -0.406147D+01 -0.623144D+01  0.124023D+02  0.278562D+01
      5  -0.133923D+00 -0.545378D+01 -0.569446D+01  0.796919D+00  0.663603D+00
      6   0.327370D+01  0.122486D+02  0.475975D+01 -0.683268D+00 -0.931782D-01
                21            22            23            24            25 
      1   0.635690D+00  0.180102D+00 -0.532404D+01  0.659057D+00 -0.846008D+01
      2  -0.757005D+00 -0.159920D+01  0.119999D+02  0.378260D+01  0.203772D+01
      3   0.121315D+00  0.141910D+01 -0.667584D+01 -0.444166D+01  0.642236D+01
      4   0.112219D+01 -0.918158D+01 -0.280869D+01 -0.141115D+01 -0.293624D+01
      5  -0.841747D+00 -0.368034D+01 -0.709603D+00  0.171110D+01  0.344278D+01
      6   0.170924D+00 -0.233620D+01  0.213005D+01 -0.327804D+01 -0.125805D+01
                26            27            28            29            30 
      1  -0.708096D+00 -0.968366D+01  0.415182D+01  0.173145D+02  0.522869D+01
      2   0.143453D+01 -0.314220D+01 -0.464065D+01 -0.121367D+02 -0.114098D+01
      3  -0.726434D+00  0.128259D+02  0.488831D+00 -0.517775D+01 -0.408771D+01
      4  -0.321374D+01  0.249117D+01  0.817400D+01 -0.123583D+02 -0.695720D-01
      5   0.194401D+01 -0.542825D+00  0.144146D+01 -0.260570D+00 -0.170850D+01
      6   0.579651D+01 -0.270566D+01  0.332576D+01 -0.298015D+01 -0.706024D+01
                31            32            33            34            35 
      1  -0.128541D+01  0.148023D+01  0.203219D+01 -0.116334D+00  0.340635D+01
      2   0.101762D+02 -0.621663D+01 -0.207388D+01  0.255164D+01 -0.537115D+01
      3  -0.889082D+01  0.473639D+01  0.416941D-01 -0.243530D+01  0.196480D+01
      4   0.475555D+01  0.136083D+02  0.173051D+01  0.674892D+00 -0.220465D+01
      5   0.149346D+01  0.156565D+01  0.409758D+00  0.362520D+01  0.388145D+01
      6   0.524376D+01 -0.312646D+01  0.694483D+01 -0.246156D+01  0.141561D+02
                36            37            38            39            40 
      1  -0.152159D+02  0.225125D+01 -0.227727D+02 -0.259625D+01  0.263855D+02
      2   0.255760D+01 -0.168501D+01  0.146566D+02  0.100894D+01 -0.249540D+02
      3   0.126583D+02 -0.566236D+00  0.811606D+01  0.158731D+01 -0.143154D+01
      4   0.356699D+01 -0.124931D+02 -0.474177D+01 -0.486125D+01  0.839585D+01
      5  -0.125516D+01 -0.426775D+01 -0.466245D+01 -0.202651D+01 -0.802049D+00
      6   0.574745D+00 -0.534274D+01 -0.199829D+01  0.520072D+01 -0.516831D+01
                41            42            43            44            45 
      1   0.104209D+02  0.174672D+01  0.250213D+01 -0.313404D+01 -0.496150D+01
      2  -0.142536D+02 -0.612413D+01 -0.632926D+01 -0.467214D+01 -0.557973D+01
      3   0.383269D+01  0.437741D+01  0.382714D+01  0.780618D+01  0.105412D+02
      4  -0.292861D+01 -0.589243D+01 -0.512207D+01 -0.908703D+01  0.151986D+02
      5  -0.594907D+01  0.143432D+02  0.144734D+02  0.154905D+02  0.784962D+01
      6  -0.901107D+01  0.642110D+01  0.606939D+01  0.145517D+02  0.369783D+01
                46            47            48            49            50 
      1  -0.704392D+01 -0.744411D+00 -0.730250D+01  0.452516D+01 -0.214397D+02
      2   0.331092D+01  0.734489D+00  0.372727D+01 -0.273756D+01  0.188545D+02
      3   0.373300D+01  0.992262D-02  0.357523D+01 -0.178760D+01  0.258520D+01
      4  -0.919232D+00  0.248104D+02  0.254228D+00 -0.231656D+02 -0.651484D+01
      5  -0.865777D+01  0.948955D-01  0.211260D+02 -0.108072D+02 -0.266903D+01
      6   0.434270D+00  0.766288D+00  0.140081D+01 -0.280985D+01  0.397724D+01
                51            52            53            54            55 
      1  -0.622239D+01 -0.896112D+01 -0.675896D+01  0.140212D+02  0.154006D+02
      2   0.933668D+01  0.307307D+01  0.517475D+01 -0.182308D+02 -0.632224D+01
      3  -0.311429D+01  0.588804D+01  0.158421D+01  0.420959D+01 -0.907839D+01
      4  -0.358747D+01 -0.118326D+02  0.833878D+00 -0.623728D+00 -0.713760D+01
      5  -0.113864D+01  0.366214D+02  0.101387D+00  0.595200D+01 -0.970801D-01
      6  -0.606889D+01  0.160103D+00  0.633139D+01 -0.406754D+01  0.710150D+00
                56            57            58            59            60 
      1   0.155233D+00 -0.130719D+00  0.121245D+01 -0.737218D+01  0.547947D+00
      2   0.345371D+01  0.665874D-01  0.564115D+01  0.277693D+01 -0.734680D+00
      3  -0.360894D+01  0.641316D-01 -0.685359D+01  0.459525D+01  0.186733D+00
      4  -0.205314D+02  0.619122D+01 -0.303469D+02 -0.159604D+01  0.328938D+01
      5   0.673367D+01 -0.132253D+02  0.986883D+01  0.218174D+01 -0.176025D+02
      6   0.136190D+01 -0.133563D+01  0.400094D+01  0.781621D+01 -0.116268D+02
                61            62            63            64            65 
      1   0.115901D+02  0.687521D+01 -0.105379D+01 -0.420489D+02  0.626258D+01
      2   0.270142D+01  0.135206D+01  0.913902D+01  0.265075D+02 -0.779132D+01
      3  -0.142915D+02 -0.822728D+01 -0.808523D+01  0.155414D+02  0.152874D+01
      4   0.126483D+02  0.129241D+02 -0.227288D+02  0.117538D+02  0.142454D+02
      5  -0.197001D+02 -0.209269D+02 -0.201747D+02 -0.131329D+02 -0.577200D+01
      6  -0.114788D+02 -0.385760D+01 -0.538935D+01  0.294823D+01  0.445065D+01
                66            67            68            69            70 
      1  -0.113275D+02 -0.821937D+00 -0.194656D+01 -0.139986D+01 -0.111435D+02
      2   0.759654D+01 -0.378659D+01  0.156900D+02 -0.400292D+00  0.847794D+01
      3   0.373092D+01  0.460852D+01 -0.137435D+02  0.180015D+01  0.266559D+01
      4  -0.430219D+01  0.206012D+02 -0.178434D+02  0.745774D+01 -0.620655D+01
      5   0.563925D+01 -0.118261D+02  0.688641D+01  0.984289D+01  0.284096D+01
      6  -0.258155D+01  0.315504D+01 -0.878371D+01  0.197018D+01  0.241120D+01
                71            72            73            74            75 
      1   0.634331D+00 -0.840906D+00 -0.554209D+02 -0.171872D+02 -0.198986D+01
      2  -0.104940D+01 -0.729423D+01  0.229095D+02  0.160137D+02  0.400816D+01
      3   0.415066D+00  0.813513D+01  0.325114D+02  0.117351D+01 -0.201830D+01
      4   0.714035D+01  0.843518D+01 -0.192370D+02  0.164540D+02 -0.729938D+01
      5   0.783209D+01  0.223670D+02 -0.306419D+01 -0.456436D+01  0.116207D+02
      6  -0.119178D+01 -0.162100D+02 -0.470461D+01 -0.590347D+01  0.426490D+01
                76            77            78            79            80 
      1  -0.794250D+01  0.203130D+02  0.270671D+01 -0.119859D+02 -0.164023D+00
      2   0.747642D+01 -0.229267D+02  0.615430D+01  0.523434D+01  0.259457D+01
      3   0.466081D+00  0.261366D+01 -0.886100D+01  0.675159D+01 -0.243055D+01
      4   0.197801D+02 -0.596154D+01 -0.464520D+01 -0.162070D+02 -0.116308D+02
      5  -0.943899D+01 -0.746204D+01  0.160037D+02  0.146337D+02  0.175497D+02
      6  -0.624889D+01 -0.459749D+01  0.884262D+01  0.816767D+01  0.905698D+01
                81            82            83            84            85 
      1   0.121439D+02  0.109930D+01 -0.306577D+01 -0.193948D+01 -0.520212D+01
      2   0.887889D+01 -0.314522D+00  0.887124D+00  0.118727D+00  0.155458D+01
      3  -0.210228D+02 -0.784775D+00  0.217864D+01  0.182075D+01  0.364754D+01
      4   0.210021D+02 -0.340726D+01  0.661814D+00  0.267436D+01  0.635879D+01
      5   0.160462D+02 -0.223254D+01  0.198967D+01 -0.310429D+00  0.463207D+01
      6   0.255595D+00  0.163577D+01 -0.110043D+01  0.775137D+00 -0.251962D+01
                86            87            88            89            90 
      1  -0.325923D+01  0.451184D+00 -0.752735D+01 -0.105403D+01 -0.591641D+01
      2   0.452113D+01  0.189826D+01  0.333721D+01  0.270020D+01  0.241015D+01
      3  -0.126189D+01 -0.234945D+01  0.419014D+01 -0.164616D+01  0.350625D+01
      4  -0.107488D+02 -0.595451D+01  0.896385D+01 -0.120795D+02 -0.125869D+02
      5  -0.507839D+01 -0.135434D+02  0.686896D+01 -0.128203D+02 -0.236695D+02
      6   0.445163D+01  0.112026D+02 -0.357133D+01  0.107757D+02  0.159001D+02
                91            92            93            94            95 
      1   0.523164D+01  0.123452D+01  0.395225D+01  0.908068D+00 -0.248792D+01
      2  -0.654610D+01 -0.119925D+01 -0.427332D+01 -0.242756D+01 -0.156275D+00
      3   0.131447D+01 -0.352619D-01  0.321075D+00  0.151949D+01  0.264420D+01
      4   0.430521D+01  0.726760D+01  0.229781D+01  0.101222D+02  0.591554D+01
      5   0.918105D+01  0.236896D+01  0.126994D+02  0.353492D+01  0.598154D+01
      6   0.294676D+01  0.374151D-01  0.179063D+01  0.194080D+01  0.429964D+01
                96            97            98            99           100 
      1  -0.266022D+01  0.288865D+01 -0.322145D+01 -0.102449D+02  0.353531D+01
      2  -0.726990D+00 -0.859953D+01 -0.241685D+01 -0.144511D+02 -0.372378D+01
      3   0.338721D+01  0.571087D+01  0.563830D+01  0.246960D+02  0.188473D+00
      4   0.631754D+01  0.317167D+01  0.688587D+01  0.940323D+01  0.123129D+01
      5   0.971211D+01  0.185824D+02  0.892741D+01  0.311506D+02 -0.217066D+01
      6   0.967546D+01  0.489766D+01  0.680327D+01  0.111477D+02  0.757738D-01
               101           102           103           104           105 
      1   0.170920D+01 -0.594787D+01 -0.205337D+01 -0.410921D+01 -0.233576D+01
      2  -0.181218D+01  0.401066D+00  0.191488D+01  0.105685D+01 -0.563009D+01
      3   0.102983D+00  0.554681D+01  0.138492D+00  0.305236D+01  0.796585D+01
      4  -0.170065D+01 -0.443626D+00 -0.340600D+00 -0.263385D+01 -0.431862D+01
      5   0.828951D+00  0.212279D-01  0.414840D+01 -0.313566D+01 -0.994363D+01
      6   0.172621D+01 -0.136340D+01  0.125427D+00  0.207101D+01  0.273187D+01
               106           107           108           109           110 
      1  -0.609901D+01 -0.268893D+00 -0.167586D+02 -0.193855D+01  0.955562D+01
      2   0.418613D+01 -0.415467D+01 -0.170225D+02  0.443449D+01 -0.110074D+02
      3   0.191288D+01  0.442356D+01  0.337811D+02 -0.249594D+01  0.145175D+01
      4  -0.276565D+01 -0.697718D+01 -0.475564D+01  0.776213D+00 -0.440820D+01
      5   0.765225D+01 -0.242020D+01 -0.300093D+02  0.177648D+01  0.106108D+00
      6   0.731440D+00  0.397805D+01 -0.934291D+01  0.478430D-02  0.264378D+01
               111           112           113           114           115 
      1  -0.718446D+00  0.101579D+02 -0.270502D+02  0.248105D+01  0.135811D+01
      2  -0.124717D+00 -0.785783D+01  0.405958D+02 -0.122195D+01 -0.713389D+00
      3   0.843163D+00 -0.230003D+01 -0.135456D+02 -0.125910D+01 -0.644725D+00
      4   0.168136D+01  0.386958D+01  0.309482D+02 -0.305925D+01  0.230021D+01
      5  -0.218539D+01 -0.305641D+01 -0.839368D+00  0.432398D+01  0.163983D+00
      6  -0.264882D+01  0.769354D+00 -0.873968D+01  0.674268D+01 -0.162188D+01
               116           117           118           119           120 
      1   0.834246D+00 -0.524707D+01  0.795718D+02  0.112351D+02  0.239562D+01
      2   0.684652D+00  0.260995D+01 -0.372972D+02 -0.232287D+01  0.415095D+00
      3  -0.151890D+01  0.263712D+01 -0.422745D+02 -0.891219D+01 -0.281071D+01
      4   0.170131D+01  0.107250D+01  0.342031D+02  0.170702D+02 -0.145453D+00
      5   0.173408D+01 -0.125273D+01 -0.940103D+01 -0.201873D+01  0.109793D+02
      6   0.618803D+01 -0.994193D+00 -0.623310D+00 -0.166076D+01  0.392882D+01
               121           122           123           124           125 
      1   0.252472D+01  0.474157D+01  0.246125D+00  0.106370D+02  0.941328D+00
      2   0.143902D+01  0.889604D+00 -0.500166D+00 -0.455532D+01  0.234586D+00
      3  -0.396374D+01 -0.563117D+01  0.254041D+00 -0.608165D+01 -0.117591D+01
      4   0.125488D+02  0.760945D+01  0.466724D+00  0.477368D+01  0.382782D+01
      5   0.257382D+00 -0.173000D+00 -0.454282D+00  0.941032D+01  0.629730D+00
      6  -0.931873D+00 -0.530964D+00  0.896568D+00  0.314448D+01  0.959926D+00
               126           127           128           129           130 
      1   0.537070D+01  0.231499D+01  0.623943D+01  0.142097D+01  0.844214D+01
      2  -0.499099D+01  0.177749D+01 -0.930706D+01 -0.113973D+01 -0.112876D+02
      3  -0.379714D+00 -0.409248D+01  0.306763D+01 -0.281237D+00  0.284543D+01
      4   0.149823D+01 -0.130709D+02  0.643423D+01  0.276355D+00  0.581940D+01
      5   0.338572D+00  0.113322D+01  0.953490D+00  0.664107D+00  0.109238D+01
      6   0.536885D+00 -0.168557D+01 -0.409660D+00 -0.129596D+01 -0.101845D+01
               131           132           133           134           135 
      1  -0.238896D+02 -0.210569D+01  0.126822D+01 -0.151034D+01 -0.231853D+00
      2   0.324674D+02  0.177000D+01 -0.144963D+01  0.224167D+01  0.104980D+01
      3  -0.857779D+01  0.335692D+00  0.181412D+00 -0.731328D+00 -0.817947D+00
      4  -0.595135D+01 -0.471810D+00 -0.856796D+00 -0.262190D-01 -0.133949D+01
      5  -0.905366D+00 -0.108224D+01  0.874164D+00 -0.719494D+00 -0.151415D+00
      6   0.266010D+01  0.517251D+01 -0.680339D+00  0.123728D+01  0.203014D+00
               136           137           138           139           140 
      1   0.845699D+01  0.640110D+01  0.112212D+01  0.119420D+01 -0.996402D+01
      2   0.199886D+01  0.452214D+01  0.200460D+00  0.106218D+02  0.310548D+02
      3  -0.104558D+02 -0.109232D+02 -0.132258D+01 -0.118160D+02 -0.210907D+02
      4   0.223031D+02  0.256168D+02  0.529000D+01  0.277013D+02  0.470757D+02
      5   0.480375D+01  0.503953D+01  0.525531D+01  0.529598D+01  0.812878D+01
      6   0.359774D+01  0.415330D+01  0.311582D+01  0.512239D+01  0.104707D+02
               141           142           143           144           145 
      1  -0.201451D+01  0.106341D+01 -0.111229D+01 -0.822410D+00  0.996960D+02
      2   0.382802D+01  0.157372D+01  0.507971D+01  0.192097D+01 -0.571352D+02
      3  -0.181351D+01 -0.263713D+01 -0.396743D+01 -0.109856D+01 -0.425608D+02
      4   0.871405D+01  0.696243D+01  0.102683D+02  0.287897D+01  0.408742D+01
      5   0.575416D+01  0.203492D+01  0.227541D+01  0.180496D+01  0.121686D+02
      6   0.799540D+01  0.190562D+01  0.343275D+01  0.251171D+01 -0.183941D+01
               146           147           148           149           150 
      1   0.281988D+01  0.815931D+01  0.176706D+01  0.889278D+01  0.142642D+01
      2  -0.137089D+01 -0.561279D+01 -0.835558D+00 -0.434149D+01 -0.132727D+01
      3  -0.144899D+01 -0.254652D+01 -0.931500D+00 -0.455129D+01 -0.991555D-01
      4   0.858024D+01  0.146121D+00  0.144066D+02  0.117090D+01  0.130466D+01
      5   0.166942D+00  0.106033D+02  0.285776D+01  0.135691D+01  0.690703D+00
      6   0.561580D+00 -0.144578D-01  0.977831D+00 -0.135372D+00  0.167534D+01
               151           152           153           154           155 
      1   0.112438D+02  0.166259D+01  0.273583D+01  0.154422D+02 -0.101628D+02
      2  -0.657761D+01 -0.106645D+01 -0.157292D+01 -0.504964D+00 -0.352502D+01
      3  -0.466621D+01 -0.596139D+00 -0.116292D+01 -0.149372D+02  0.136878D+02
      4   0.297594D+01  0.116257D+01  0.555823D+00 -0.285375D+02  0.292927D+02
      5   0.211910D+01  0.341385D+00  0.191825D+01 -0.360258D+01  0.266969D+01
      6   0.399925D-01  0.601826D+00  0.417569D+00  0.123432D+01 -0.108184D+01
               156           157           158           159           160 
      1  -0.138029D+01 -0.574963D+01 -0.149511D+01 -0.608625D-01  0.514504D+00
      2   0.290568D+00 -0.880244D+01  0.230074D+02  0.118784D+01 -0.161723D+01
      3   0.108972D+01  0.145521D+02 -0.215122D+02 -0.112697D+01  0.110272D+01
      4   0.242636D+01  0.322937D+02 -0.465850D+02 -0.551248D+01  0.306709D+01
      5   0.494352D+01  0.466530D+01 -0.619512D+01 -0.522012D+01  0.141873D+01
      6  -0.273744D+01 -0.306053D+01  0.475199D+01  0.610531D+01 -0.107774D+01
               161           162           163           164           165 
      1  -0.126266D+01 -0.515540D+00 -0.475276D+01 -0.734251D+01 -0.295894D+01
      2   0.324751D+01  0.132215D+01  0.596411D+01  0.872199D+01  0.197694D+01
      3  -0.198484D+01 -0.806612D+00 -0.121135D+01 -0.137948D+01  0.982005D+00
      4  -0.515965D+01 -0.196298D+01  0.524852D+01  0.683372D+01  0.113839D+01
      5  -0.113857D+01 -0.590659D+00  0.294956D+00  0.799365D+00  0.174626D+01
      6   0.186995D+01  0.131607D+01  0.234374D+01  0.416426D+01  0.260302D+01
               166           167           168           169           170 
      1  -0.797154D+01 -0.278841D+02 -0.728821D+01 -0.224276D+01 -0.614704D+01
      2   0.998087D+01  0.355131D+02  0.638406D+01  0.244201D+01  0.722236D+01
      3  -0.200933D+01 -0.762901D+01  0.904151D+00 -0.199251D+00 -0.107532D+01
      4   0.585535D+01  0.209880D+01 -0.381331D-02  0.154528D+01  0.901939D+00
      5   0.563699D+00 -0.677833D+00  0.466588D+00  0.115370D+01  0.630472D+00
      6   0.326463D+01  0.114910D+02  0.794159D+01  0.130737D+01  0.407352D+01
               171           172           173           174           175 
      1  -0.252852D+01  0.686550D+02 -0.942985D+01  0.113229D+02 -0.196066D+01
      2   0.261153D+01 -0.373053D+02  0.359512D+01 -0.694608D+01 -0.690332D+00
      3  -0.830064D-01 -0.313498D+02  0.583473D+01 -0.437679D+01  0.265100D+01
      4   0.185224D+01 -0.257614D+02  0.109943D+02 -0.289426D+01  0.735388D+01
      5   0.105425D+01  0.170379D+02 -0.134332D+01  0.107129D+02  0.291112D+01
      6   0.277014D+01 -0.427153D+01  0.490067D+00 -0.288642D+01  0.157587D+00
               176           177           178           179           180 
      1   0.222914D+01  0.313639D+01  0.180865D+02  0.860481D+00  0.484159D+01
      2   0.243795D+00 -0.259346D+01 -0.121561D+02 -0.659336D+00 -0.406997D+01
      3  -0.247293D+01 -0.542936D+00 -0.593045D+01 -0.201144D+00 -0.771618D+00
      4  -0.215353D+01  0.915111D+00 -0.411519D+01  0.191957D+01 -0.264987D+01
      5   0.171948D+01  0.732418D+00  0.107555D+02 -0.179860D+01  0.519654D+01
      6  -0.519468D+00  0.124920D+01 -0.169515D+01  0.171350D+01 -0.929643D+00
 Leave Link  716 at Fri Aug 13 11:37:40 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136072D+03  0.823255D+00  0.225005D+01
      2   0.823255D+00  0.112437D+03  0.404126D+01
      3   0.225005D+01  0.404126D+01  0.756063D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.548229D+00 -0.480627D+00  0.246874D+01
      2   0.121506D+02  0.115743D+02 -0.703139D+01
      3   0.600387D+00 -0.309975D+02 -0.118248D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.668901D+02  0.288477D+01  0.772227D+01
      2  -0.284816D+02 -0.672795D+01 -0.123241D+02
      3  -0.384084D+02  0.384318D+01  0.460180D+01
      4  -0.137736D+02  0.515770D+02  0.269621D+02
      5   0.201897D+02  0.286247D+02 -0.191176D+02
      6   0.904042D+01  0.618861D+01 -0.691062D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.278309D+01 -0.394962D+00 -0.537524D+00 -0.627358D+01 -0.224152D+00
      2  -0.394962D+00  0.312308D+01  0.856848D+00 -0.224152D+00 -0.104713D+01
      3  -0.537524D+00  0.856848D+00  0.176667D+01 -0.853500D+00  0.103292D+01
                 6             7             8             9            10 
      1  -0.853500D+00 -0.211023D+01 -0.207581D+00  0.296267D+01  0.383669D+01
      2   0.103292D+01 -0.207581D+00  0.145803D+01 -0.348521D+01  0.210376D+01
      3  -0.247884D+01  0.296267D+01 -0.348521D+01 -0.123119D+01  0.638657D+00
                11            12            13            14            15 
      1   0.210376D+01  0.638657D+00 -0.717871D+01 -0.862402D+00  0.130187D+00
      2  -0.351604D+01  0.118016D+00 -0.862402D+00 -0.183744D+01  0.878433D+00
      3   0.118016D+00 -0.151237D+01  0.130187D+00  0.878433D+00 -0.155849D+01
                16            17            18            19            20 
      1  -0.108699D+00  0.857743D+00 -0.811801D+00 -0.171906D+02 -0.251180D+01
      2   0.857743D+00  0.412032D+00 -0.331575D+01 -0.251180D+01 -0.271377D+01
      3  -0.811801D+00 -0.331575D+01 -0.232632D+01 -0.768548D+00 -0.268920D+00
                21            22            23            24            25 
      1  -0.768548D+00 -0.323469D+01  0.169245D+01  0.107542D+01 -0.719061D+00
      2  -0.268920D+00  0.169245D+01  0.608137D-03  0.419298D-01  0.898601D+00
      3  -0.202674D+01  0.107542D+01  0.419298D-01 -0.437059D+00 -0.369602D+01
                26            27            28            29            30 
      1   0.898601D+00 -0.369602D+01  0.539798D+01 -0.988878D+00  0.402175D+00
      2   0.877217D-01 -0.496977D+00 -0.988878D+00 -0.381338D+01 -0.910700D+00
      3  -0.496977D+00 -0.139726D+01  0.402175D+00 -0.910700D+00 -0.218789D+01
                31            32            33            34            35 
      1   0.874303D+01 -0.173801D+00  0.889531D-01  0.285637D+01 -0.207482D+00
      2  -0.173801D+00  0.201208D+01 -0.449153D+00 -0.207482D+00 -0.100365D+01
      3   0.889531D-01 -0.449153D+00  0.194008D+01 -0.168457D+01  0.346187D+01
                36            37            38            39            40 
      1  -0.168457D+01 -0.370441D+01 -0.155993D+00 -0.561565D+00  0.561063D+01
      2   0.346187D+01 -0.155993D+00  0.326480D+01 -0.154728D+00  0.210360D+00
      3   0.930090D+00 -0.561565D+00 -0.154728D+00  0.112793D+01 -0.162769D+00
                41            42            43            44            45 
      1   0.210360D+00 -0.162769D+00  0.228332D+00 -0.903531D+00  0.230588D+01
      2   0.138062D+01 -0.853128D+00 -0.903531D+00 -0.752278D+00  0.390312D+01
      3  -0.853128D+00  0.241569D+01  0.230588D+01  0.390312D+01  0.250474D+01
                46            47            48            49            50 
      1   0.667479D+01  0.333405D+00 -0.597833D+00  0.964605D+00 -0.983644D+00
      2   0.333405D+00  0.337512D+01  0.317491D-01 -0.983644D+00 -0.917241D-01
      3  -0.597833D+00  0.317491D-01  0.320719D+01 -0.121418D+01 -0.347589D+00
                51            52            53            54            55 
      1  -0.121418D+01 -0.333814D+00 -0.115877D+01  0.546272D+01  0.354824D+01
      2  -0.347589D+00 -0.115877D+01  0.324070D+00  0.746044D-01  0.192365D+01
      3  -0.844980D-01  0.546272D+01  0.746044D-01  0.129076D+01 -0.523284D-02
                56            57            58            59            60 
      1   0.192365D+01 -0.523284D-02  0.645952D+01  0.467423D+01 -0.121571D+01
      2   0.321526D+01 -0.159323D+01  0.467423D+01  0.701305D+00 -0.350101D+00
      3  -0.159323D+01  0.198459D+01 -0.121571D+01 -0.350101D+00  0.419711D+01
                61            62            63            64            65 
      1   0.692223D-01 -0.177475D+01  0.364760D+01  0.927263D+01  0.473770D+00
      2  -0.177475D+01 -0.223183D+01  0.424253D+01  0.473770D+00 -0.158434D+01
      3   0.364760D+01  0.424253D+01  0.500929D+01  0.126980D+01  0.121290D+01
                66            67            68            69            70 
      1   0.126980D+01  0.602702D+00 -0.230335D+01  0.164479D+01  0.184418D+01
      2   0.121290D+01 -0.230335D+01  0.266826D+01 -0.126008D+01  0.136738D+01
      3  -0.172028D+00  0.164479D+01 -0.126008D+01 -0.228764D+01  0.934122D-01
                71            72            73            74            75 
      1   0.136738D+01  0.934122D-01  0.879308D+01  0.915868D+00  0.171962D+01
      2  -0.938120D+00 -0.159490D+01  0.915868D+00 -0.400671D+01  0.135649D+01
      3  -0.159490D+01 -0.472126D+01  0.171962D+01  0.135649D+01 -0.197580D+01
                76            77            78            79            80 
      1  -0.278851D+01 -0.408199D+01  0.176709D+01  0.494732D+01  0.234234D+01
      2  -0.408199D+01  0.300330D+01  0.730054D+00  0.234234D+01  0.235097D+01
      3   0.176709D+01  0.730054D+00 -0.340085D+01 -0.210130D+01 -0.337969D+01
                81            82            83            84            85 
      1  -0.210130D+01  0.101591D-01  0.395283D+00  0.404392D+00  0.119658D+01
      2  -0.337969D+01  0.395283D+00  0.104117D+00 -0.259075D+00 -0.726276D+00
      3  -0.425517D+01  0.404392D+00 -0.259075D+00  0.393145D+00 -0.765942D+00
                86            87            88            89            90 
      1  -0.726276D+00 -0.765942D+00  0.208346D+01 -0.112259D+01 -0.102170D+01
      2   0.218864D+01  0.979452D+00 -0.112259D+01  0.228329D+01  0.257307D+01
      3   0.979452D+00  0.264442D+01 -0.102170D+01  0.257307D+01  0.484150D+01
                91            92            93            94            95 
      1  -0.192402D+01 -0.695150D+00 -0.162204D+01 -0.265234D+01 -0.162742D+01
      2  -0.695150D+00 -0.724772D+00 -0.217705D+00 -0.162742D+01 -0.127040D+01
      3  -0.162204D+01 -0.217705D+00 -0.141355D+01 -0.549507D+00 -0.140432D+01
                96            97            98            99           100 
      1  -0.549507D+00 -0.423007D+01 -0.503072D+00 -0.283279D+01 -0.407008D+00
      2  -0.140432D+01 -0.503072D+00 -0.144889D+01 -0.197583D+01  0.350514D-01
      3  -0.224975D+01 -0.283279D+01 -0.197583D+01 -0.722311D+01  0.609268D+00
               101           102           103           104           105 
      1   0.350514D-01  0.609268D+00  0.969236D+00  0.212847D+00 -0.503141D+00
      2   0.588716D+00 -0.142679D+00  0.212847D+00  0.341262D+00  0.887638D+00
      3  -0.142679D+00  0.107145D+01 -0.503141D+00  0.887638D+00  0.222264D+01
               106           107           108           109           110 
      1   0.121161D+01  0.118889D+00 -0.514208D+00  0.689779D+00 -0.837435D+00
      2   0.118889D+00  0.133738D+01  0.501036D+00 -0.837435D+00  0.211148D+01
      3  -0.514208D+00  0.501036D+00  0.714139D+01 -0.300850D+00 -0.470259D+00
               111           112           113           114           115 
      1  -0.300850D+00 -0.188284D+01  0.770739D+00  0.932623D-01 -0.626875D+00
      2  -0.470259D+00  0.770739D+00 -0.816219D+01  0.726007D+00 -0.300062D+00
      3   0.656119D+00  0.932623D-01  0.726007D+00 -0.114924D+01  0.268162D+00
               116           117           118           119           120 
      1  -0.300062D+00  0.268162D+00 -0.128891D+02 -0.249542D+01  0.670923D-01
      2  -0.234504D+00 -0.628918D+00 -0.249542D+01 -0.146072D+01  0.156024D+00
      3  -0.628918D+00  0.413929D+00  0.670923D-01  0.156024D+00 -0.118334D+01
               121           122           123           124           125 
      1  -0.655259D+00 -0.109990D+01 -0.198415D+00 -0.233314D+01 -0.493304D+00
      2  -0.109990D+01 -0.988218D+00 -0.591821D-01 -0.493304D+00 -0.650246D+00
      3  -0.198415D+00 -0.591821D-01  0.207474D+00 -0.100446D+01 -0.107978D-02
               126           127           128           129           130 
      1  -0.100446D+01 -0.582497D+01  0.221641D+01 -0.318674D+00  0.182921D+01
      2  -0.107978D-02  0.221641D+01 -0.221243D+01 -0.183979D+00 -0.254252D+01
      3   0.299762D-01 -0.318674D+00 -0.183979D+00 -0.113807D+00 -0.245663D+00
               131           132           133           134           135 
      1  -0.254252D+01 -0.245663D+00 -0.795114D+00 -0.320785D-01  0.753123D-02
      2   0.657093D+01  0.478158D+00 -0.320785D-01  0.434517D+00  0.279698D-01
      3   0.478158D+00  0.714154D+00  0.753123D-02  0.279698D-01 -0.649937D-01
               136           137           138           139           140 
      1   0.282780D+01  0.293295D+01  0.727613D+00  0.270824D+01  0.407072D+01
      2   0.293295D+01  0.312023D+01  0.745479D+00  0.407072D+01  0.847948D+01
      3   0.727613D+00  0.745479D+00  0.544113D+00  0.837549D+00  0.163129D+01
               141           142           143           144           145 
      1   0.837549D+00  0.748427D+00  0.991243D+00  0.230310D+00  0.131038D+02
      2   0.163129D+01  0.991243D+00  0.177656D+01  0.273820D+00  0.376952D+00
      3   0.105494D+01  0.230310D+00  0.273820D+00  0.185375D+00  0.129803D+01
               146           147           148           149           150 
      1   0.376952D+00  0.129803D+01  0.292496D+00  0.153621D+01  0.348465D+00
      2   0.722832D+00  0.244900D-01  0.153621D+01  0.137906D+00  0.158734D+00
      3   0.244900D-01  0.921931D+00  0.348465D+00  0.158734D+00  0.992477D-01
               151           152           153           154           155 
      1   0.157253D+01  0.366296D+00 -0.259212D-01  0.392272D+01 -0.348997D+01
      2   0.366296D+00  0.901241D-01  0.271036D-01 -0.348997D+01  0.347695D+01
      3  -0.259212D-01  0.271036D-01  0.110987D+00 -0.322987D+00  0.281502D+00
               156           157           158           159           160 
      1  -0.322987D+00 -0.335182D+01  0.443693D+01  0.631555D+00 -0.255448D+00
      2   0.281502D+00  0.443693D+01 -0.739357D+01 -0.900741D+00  0.436133D+00
      3   0.458051D+00  0.631555D+00 -0.900741D+00 -0.783095D+00 -0.116449D-01
               161           162           163           164           165 
      1   0.436133D+00 -0.116449D-01 -0.216464D+01 -0.192545D+01 -0.369305D+00
      2  -0.102611D+01 -0.120551D+00 -0.192545D+01 -0.201117D+01 -0.630936D+00
      3  -0.120551D+00 -0.120693D+00 -0.369305D+00 -0.630936D+00 -0.369793D+00
               166           167           168           169           170 
      1  -0.187951D+01 -0.238115D+01 -0.515674D+00 -0.500127D+00 -0.729125D+00
      2  -0.238115D+01 -0.712508D+01 -0.166078D+01 -0.729125D+00 -0.166001D+01
      3  -0.515674D+00 -0.166078D+01 -0.109437D+01 -0.160964D+00 -0.456770D+00
               171           172           173           174           175 
      1  -0.160964D+00 -0.111898D+02  0.178796D+01 -0.173210D+01  0.521035D+00
      2  -0.456770D+00  0.178796D+01 -0.105925D+01  0.487063D-01 -0.597884D+00
      3  -0.319259D+00 -0.173210D+01  0.487063D-01 -0.117585D+01 -0.392770D+00
               176           177           178           179           180 
      1  -0.597884D+00 -0.392770D+00 -0.354888D+01  0.537242D-01 -0.111290D+01
      2   0.431359D+00 -0.259539D+00  0.537242D-01 -0.609044D+00  0.370565D+00
      3  -0.259539D+00  0.280715D-01 -0.111290D+01  0.370565D+00 -0.798770D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111443D+01 -0.390643D+00  0.315402D+01 -0.127817D+01  0.415605D+00
      2  -0.730704D+00  0.256330D+01  0.211070D+01 -0.810059D+00  0.337691D+01
      3  -0.177317D+01 -0.141312D+02 -0.247511D+01  0.397991D+01 -0.714336D+00
                 6             7             8             9            10 
      1  -0.287380D+01  0.680888D+01  0.268611D+01  0.973371D+00 -0.397760D-01
      2  -0.663836D+01 -0.548723D+01 -0.102714D+02 -0.378932D+01  0.322433D+01
      3  -0.239481D+01 -0.215064D+00 -0.444627D+01  0.393793D+01  0.132736D-02
                11            12            13            14            15 
      1   0.111447D+01 -0.279605D+01  0.122252D+01 -0.711757D+00 -0.292693D+01
      2   0.143521D+01 -0.140901D+01  0.110500D+01 -0.156761D+01 -0.142286D+01
      3  -0.841040D+00 -0.152325D+01  0.114302D+01  0.788094D+01  0.221106D+00
                16            17            18            19            20 
      1  -0.555138D+01  0.214435D+01 -0.971516D+00  0.790448D+00 -0.630934D+00
      2  -0.135498D+02 -0.112926D+01 -0.261921D+01  0.170453D+00 -0.152160D+01
      3  -0.459157D+01 -0.433181D-01  0.586208D+01 -0.677595D+01  0.747007D+01
                21            22            23            24            25 
      1  -0.774958D+00 -0.296179D+01 -0.145840D+01  0.165087D+01  0.107725D+01
      2  -0.159502D+01 -0.162165D+01  0.549117D+00  0.752426D+00 -0.135305D+02
      3   0.569702D+00  0.155619D+02  0.392049D-01  0.404660D+00 -0.214363D-01
                26            27            28            29            30 
      1   0.104819D+02  0.216248D+01 -0.125047D+01 -0.209625D+00  0.342162D+01
      2   0.639441D+00 -0.668119D+00  0.236353D+01 -0.225860D+00 -0.124256D+01
      3   0.277544D+01 -0.888885D+00  0.904788D+01 -0.384865D+00  0.189555D+01
                31            32            33            34            35 
      1  -0.911409D+00 -0.134276D+00 -0.277463D+01  0.501750D+01  0.213050D+01
      2   0.356245D+01  0.125384D+01  0.706026D+00 -0.130259D+02  0.341694D+00
      3   0.704508D+01 -0.611552D+01  0.117244D+00  0.238639D+01 -0.141187D+00
                36            37            38            39            40 
      1   0.393909D-01  0.998523D+00  0.624970D+00 -0.202229D+01  0.109098D+01
      2  -0.337496D+00 -0.123464D+00  0.121131D+01 -0.599713D-01  0.859389D+00
      3  -0.518598D+01 -0.316285D+01 -0.105808D+02 -0.220718D+01  0.507290D+01
                41            42            43            44            45 
      1   0.136743D+00 -0.347494D+01 -0.557883D+01  0.180049D+01 -0.137707D+01
      2  -0.295594D+01  0.690091D+01 -0.761934D+01  0.982818D+01  0.378700D+01
      3  -0.254234D+01  0.174130D+01 -0.640333D+00  0.110398D+01 -0.522922D+01
                46            47            48            49            50 
      1   0.175630D+00 -0.833832D+00 -0.668863D+00 -0.136080D+01 -0.281032D+01
      2  -0.306182D+00 -0.369459D+00  0.950132D+01 -0.364312D+01 -0.362025D+00
      3   0.669615D+00 -0.787906D+01  0.478740D+00  0.119423D+02  0.344259D+01
                51            52            53            54            55 
      1   0.303721D+01 -0.955320D+00  0.112280D+02  0.262859D+01 -0.194116D+01
      2  -0.601044D+00  0.888761D+01  0.420613D+00  0.274259D+01  0.159476D+01
      3   0.200177D+01  0.348132D+01  0.114499D+01  0.111560D+01  0.670951D+01
                56            57            58            59            60 
      1  -0.215799D+00  0.146714D+00 -0.239441D+01 -0.954503D+00  0.153413D+01
      2   0.284008D+01 -0.254470D+01  0.391095D+01  0.247836D+01 -0.635574D+01
      3   0.383757D+01 -0.197959D+01  0.131706D+02 -0.470457D+01  0.809365D+00
                61            62            63            64            65 
      1   0.413823D+01  0.677655D+01 -0.981577D+00 -0.334716D+01 -0.162436D+01
      2  -0.132274D+02 -0.854449D+01 -0.771134D+01  0.201576D+00 -0.198300D+01
      3  -0.130938D+01 -0.561382D+01  0.866313D+01  0.224253D+02 -0.982193D+01
                66            67            68            69            70 
      1   0.646851D+00 -0.997633D+00 -0.104379D+01 -0.237065D+00 -0.442497D+01
      2   0.457794D+01 -0.211575D+01  0.200417D+01  0.526928D+01 -0.356911D+01
      3   0.577282D+01  0.336705D+01  0.551270D+01 -0.205293D+01  0.617008D+01
                71            72            73            74            75 
      1   0.813280D+01  0.958468D+01  0.436736D+01 -0.192678D+01 -0.235053D+01
      2   0.606425D+01  0.106425D+02 -0.115765D+02 -0.530916D+01  0.677418D+01
      3  -0.117920D+01 -0.471430D+01 -0.950417D+01 -0.166680D+02  0.124764D+01
                76            77            78            79            80 
      1   0.309682D+00  0.894194D+01 -0.742169D+01 -0.130834D+01 -0.282248D+01
      2  -0.660443D+01 -0.224191D-01  0.733685D+01  0.187972D+01  0.738882D+01
      3  -0.100491D+02  0.182438D+02 -0.767236D-02  0.198818D+01  0.214680D+01
                81            82            83            84            85 
      1  -0.775754D+01 -0.444341D+00  0.557093D+00 -0.510736D+00  0.151439D+01
      2   0.122351D+02 -0.164513D+01  0.905651D+00 -0.627074D+00  0.181380D+01
      3  -0.703919D+01  0.189034D+01  0.650156D+00 -0.589491D-01  0.902819D+00
                86            87            88            89            90 
      1  -0.222866D+01 -0.601787D+01  0.263483D+01 -0.305375D+01 -0.109969D+02
      2  -0.260346D+01 -0.689548D+01  0.261534D-01 -0.676604D+01 -0.113952D+02
      3   0.457662D+01  0.162828D+01  0.940200D+00  0.589843D+01  0.636593D+01
                91            92            93            94            95 
      1  -0.871816D+00  0.121233D+01 -0.463299D+00  0.125022D+01  0.700381D+00
      2   0.160188D+01  0.448014D+00  0.299510D+01 -0.303024D+00  0.135483D+01
      3  -0.155306D+01 -0.383690D+01 -0.332898D+00 -0.159084D+01 -0.149162D+01
                96            97            98            99           100 
      1  -0.129384D+01 -0.123426D+01  0.211727D+01 -0.122456D+01  0.771330D+00
      2   0.409128D+01  0.996646D+00  0.322448D+01  0.119057D+02 -0.183204D+01
      3  -0.321591D+01  0.143193D+00 -0.312681D+01 -0.437224D+01  0.651119D+00
               101           102           103           104           105 
      1   0.992576D+00  0.112605D+01  0.779973D-01  0.212124D+01  0.214044D+01
      2   0.780191D-01 -0.232524D+01 -0.207694D+00 -0.238928D+01 -0.530809D+01
      3   0.110761D+01 -0.741204D+00  0.123906D+01  0.565966D+00  0.226824D+01
               106           107           108           109           110 
      1  -0.330607D+00  0.490800D+01  0.102653D+02 -0.186530D+01  0.167751D+01
      2  -0.317982D+01 -0.193671D+01 -0.175350D+02 -0.134270D+00  0.160703D+01
      3  -0.120995D+01  0.357306D+01  0.218506D+01 -0.667023D+01  0.742388D+01
               111           112           113           114           115 
      1   0.164528D+01  0.171130D+01 -0.602821D+01 -0.360359D+01  0.780083D+00
      2  -0.106825D+01  0.146788D+01 -0.278780D+01  0.198336D+01 -0.151368D+01
      3  -0.126461D+00  0.976110D+01 -0.227242D+02  0.139306D+01  0.116983D+01
               116           117           118           119           120 
      1  -0.136235D+00  0.484107D+00 -0.550159D+00 -0.806561D+00 -0.210813D+01
      2   0.107311D+01 -0.918641D+00  0.731573D+01  0.785029D+00  0.682061D+01
      3  -0.747676D+00 -0.206951D+01  0.100887D+02 -0.481206D+01  0.624969D+00
               121           122           123           124           125 
      1  -0.467296D+00 -0.796642D+00 -0.405034D+00 -0.126532D+01  0.703496D+00
      2   0.136052D+01  0.567860D+00 -0.227645D+00  0.199283D+01 -0.205676D+00
      3   0.107439D+00 -0.218955D+01 -0.185849D+00  0.545848D+00 -0.120865D+01
               126           127           128           129           130 
      1   0.129374D-01  0.177456D+01 -0.349353D+00  0.142562D+01  0.139826D+00
      2   0.327966D+00  0.147746D+01 -0.757388D-01 -0.625313D-01 -0.395729D+00
      3   0.136834D+01 -0.181362D+02  0.492886D+01 -0.109911D+01  0.675398D+01
               131           132           133           134           135 
      1  -0.550631D-01 -0.333314D+01 -0.276215D+00  0.190587D+01  0.225844D+00
      2   0.775649D+00 -0.859482D+00 -0.142817D+01  0.379088D+00 -0.137590D+00
      3  -0.618935D+01 -0.800463D+00 -0.204592D+01  0.223021D+00 -0.569445D-01
               136           137           138           139           140 
      1  -0.271419D+00 -0.286780D-01 -0.190143D+01 -0.151319D+00  0.448394D+00
      2   0.540241D+00  0.876169D+00  0.213177D+01  0.714895D+00  0.261653D+01
      3  -0.101391D+01 -0.342114D+01 -0.523466D+00 -0.192167D+01 -0.129627D+02
               141           142           143           144           145 
      1  -0.404444D+01  0.611419D+00  0.200865D+01 -0.497511D+00 -0.122420D+00
      2   0.332146D+01 -0.662421D+00 -0.293851D+00  0.498680D+00  0.190724D+01
      3  -0.223397D+01 -0.336428D+00 -0.247985D+01 -0.170992D+00  0.362054D+00
               146           147           148           149           150 
      1   0.433574D+00 -0.203499D+00  0.219586D+00  0.378377D-02 -0.403835D+00
      2  -0.780703D-01  0.625349D+01  0.132597D+01  0.333448D+00  0.398796D+00
      3  -0.533908D+01  0.185700D+00 -0.376338D+01 -0.250880D+00 -0.382813D+00
               151           152           153           154           155 
      1   0.470537D-01  0.523671D+00 -0.100935D-01  0.258213D+00 -0.579986D+00
      2  -0.290533D+01  0.389115D-01  0.561722D+00  0.272833D+00 -0.305852D+00
      3  -0.126358D+01 -0.538185D+00 -0.268854D+00  0.117777D+01 -0.466159D+01
               156           157           158           159           160 
      1   0.205527D+01  0.246122D+00  0.190062D+00 -0.366084D+01 -0.903796D+00
      2   0.232798D+01  0.458254D+00 -0.102413D+01 -0.307258D+01 -0.899124D+00
      3  -0.582029D-01 -0.299244D+01  0.120372D+02  0.108050D+01 -0.623868D+00
               161           162           163           164           165 
      1   0.170494D+01 -0.283300D+00  0.797042D+00  0.307722D+00 -0.156050D+01
      2   0.727801D+00 -0.267044D+00 -0.167473D+01 -0.947336D+00  0.327242D+00
      3   0.196692D+01  0.175358D+00  0.802462D+01  0.427328D+01  0.658310D+00
               166           167           168           169           170 
      1   0.654920D+00  0.964048D+00 -0.363868D+01  0.352615D+00  0.234173D+01
      2  -0.165048D+01 -0.162877D+01  0.515006D+00 -0.179540D+01 -0.475191D+00
      3   0.789221D+01  0.790295D+01  0.187377D+01  0.132765D+01  0.231783D+01
               171           172           173           174           175 
      1  -0.391434D+00  0.188534D+01  0.676308D+00  0.173886D+01  0.960703D+00
      2   0.203476D+00 -0.152240D+01  0.871064D-01  0.491860D+01  0.772829D+00
      3   0.259567D+00 -0.128708D+02 -0.353541D+01 -0.232659D+01  0.421043D+00
               176           177           178           179           180 
      1   0.278592D+00 -0.569092D-01  0.773132D+00  0.639730D+00  0.133402D+00
      2   0.307166D-01  0.105880D+00  0.567167D+00 -0.914113D+00  0.135031D+01
      3   0.933995D-01 -0.114088D+01 -0.589516D+01 -0.162552D+01  0.631300D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.162891D+01  0.238449D+02  0.509189D+01 -0.271865D+02  0.690249D+01
      2  -0.364751D+01 -0.142734D+02  0.525638D+00  0.264474D+02 -0.113517D+02
      3   0.201860D+01 -0.957145D+01 -0.561753D+01  0.739042D+00  0.444923D+01
      4   0.186578D+02  0.377004D+01  0.494361D+01  0.794267D+01  0.106009D+02
      5   0.379054D+00  0.458425D+01  0.467441D+01 -0.275593D+01  0.767981D+01
      6   0.253841D+01 -0.262524D+01 -0.739986D+01  0.644977D+01 -0.579563D+01
                 6             7             8             9            10 
      1   0.157111D+01 -0.814637D+01  0.637460D+01  0.457676D+00  0.834460D+01
      2  -0.161676D+01  0.899275D+01 -0.856012D+01 -0.727980D+01 -0.692818D+01
      3   0.456498D-01 -0.846377D+00  0.218552D+01  0.682213D+01 -0.141642D+01
      4   0.849603D+01  0.255496D+01  0.687448D+01 -0.150762D+02 -0.117556D+02
      5  -0.138588D+02  0.192348D+02 -0.152365D+02 -0.808721D+01 -0.136892D+00
      6   0.696708D+01 -0.744056D+01  0.137112D+02 -0.410536D+00 -0.264525D+01
                11            12            13            14            15 
      1  -0.145795D+02 -0.375335D-01  0.232750D+01  0.628377D+01  0.438843D+01
      2   0.110846D+02 -0.184140D+01 -0.917608D+01 -0.950889D+01 -0.600374D+01
      3   0.349488D+01  0.187893D+01  0.684858D+01  0.322512D+01  0.161531D+01
      4  -0.186398D+02 -0.438502D+01  0.113019D+02 -0.124788D+02 -0.158498D+01
      5  -0.433642D+01 -0.478146D+01  0.104567D+01 -0.170584D+01 -0.114701D+01
      6  -0.250242D+01  0.607300D+01 -0.486376D+01 -0.883847D+01  0.404575D+01
                16            17            18            19            20 
      1   0.202999D+01  0.105853D+01 -0.159540D+02 -0.231457D+02 -0.389534D+00
      2  -0.410992D+01 -0.671066D+01  0.729927D+00  0.843297D+01  0.527733D+00
      3   0.207993D+01  0.565214D+01  0.152241D+02  0.147128D+02 -0.138198D+00
      4   0.403773D+00 -0.406147D+01 -0.623144D+01  0.124023D+02  0.278562D+01
      5  -0.133923D+00 -0.545378D+01 -0.569446D+01  0.796919D+00  0.663603D+00
      6   0.327370D+01  0.122486D+02  0.475975D+01 -0.683268D+00 -0.931782D-01
                21            22            23            24            25 
      1   0.635690D+00  0.180102D+00 -0.532404D+01  0.659057D+00 -0.846008D+01
      2  -0.757005D+00 -0.159920D+01  0.119999D+02  0.378260D+01  0.203772D+01
      3   0.121315D+00  0.141910D+01 -0.667584D+01 -0.444166D+01  0.642236D+01
      4   0.112219D+01 -0.918158D+01 -0.280869D+01 -0.141115D+01 -0.293624D+01
      5  -0.841747D+00 -0.368034D+01 -0.709603D+00  0.171110D+01  0.344278D+01
      6   0.170924D+00 -0.233620D+01  0.213005D+01 -0.327804D+01 -0.125805D+01
                26            27            28            29            30 
      1  -0.708096D+00 -0.968366D+01  0.415182D+01  0.173145D+02  0.522869D+01
      2   0.143453D+01 -0.314220D+01 -0.464065D+01 -0.121367D+02 -0.114098D+01
      3  -0.726434D+00  0.128259D+02  0.488831D+00 -0.517775D+01 -0.408771D+01
      4  -0.321374D+01  0.249117D+01  0.817400D+01 -0.123583D+02 -0.695720D-01
      5   0.194401D+01 -0.542825D+00  0.144146D+01 -0.260570D+00 -0.170850D+01
      6   0.579651D+01 -0.270566D+01  0.332576D+01 -0.298015D+01 -0.706024D+01
                31            32            33            34            35 
      1  -0.128541D+01  0.148023D+01  0.203219D+01 -0.116334D+00  0.340635D+01
      2   0.101762D+02 -0.621663D+01 -0.207388D+01  0.255164D+01 -0.537115D+01
      3  -0.889082D+01  0.473639D+01  0.416941D-01 -0.243530D+01  0.196480D+01
      4   0.475555D+01  0.136083D+02  0.173051D+01  0.674892D+00 -0.220465D+01
      5   0.149346D+01  0.156565D+01  0.409758D+00  0.362520D+01  0.388145D+01
      6   0.524376D+01 -0.312646D+01  0.694483D+01 -0.246156D+01  0.141561D+02
                36            37            38            39            40 
      1  -0.152159D+02  0.225125D+01 -0.227727D+02 -0.259625D+01  0.263855D+02
      2   0.255760D+01 -0.168501D+01  0.146566D+02  0.100894D+01 -0.249540D+02
      3   0.126583D+02 -0.566236D+00  0.811606D+01  0.158731D+01 -0.143154D+01
      4   0.356699D+01 -0.124931D+02 -0.474177D+01 -0.486125D+01  0.839585D+01
      5  -0.125516D+01 -0.426775D+01 -0.466245D+01 -0.202651D+01 -0.802049D+00
      6   0.574745D+00 -0.534274D+01 -0.199829D+01  0.520072D+01 -0.516831D+01
                41            42            43            44            45 
      1   0.104209D+02  0.174672D+01  0.250213D+01 -0.313404D+01 -0.496150D+01
      2  -0.142536D+02 -0.612413D+01 -0.632926D+01 -0.467214D+01 -0.557973D+01
      3   0.383269D+01  0.437741D+01  0.382714D+01  0.780618D+01  0.105412D+02
      4  -0.292861D+01 -0.589243D+01 -0.512207D+01 -0.908703D+01  0.151986D+02
      5  -0.594907D+01  0.143432D+02  0.144734D+02  0.154905D+02  0.784962D+01
      6  -0.901107D+01  0.642110D+01  0.606939D+01  0.145517D+02  0.369783D+01
                46            47            48            49            50 
      1  -0.704392D+01 -0.744411D+00 -0.730250D+01  0.452516D+01 -0.214397D+02
      2   0.331092D+01  0.734489D+00  0.372727D+01 -0.273756D+01  0.188545D+02
      3   0.373300D+01  0.992262D-02  0.357523D+01 -0.178760D+01  0.258520D+01
      4  -0.919232D+00  0.248104D+02  0.254228D+00 -0.231656D+02 -0.651484D+01
      5  -0.865777D+01  0.948955D-01  0.211260D+02 -0.108072D+02 -0.266903D+01
      6   0.434270D+00  0.766288D+00  0.140081D+01 -0.280985D+01  0.397724D+01
                51            52            53            54            55 
      1  -0.622239D+01 -0.896112D+01 -0.675896D+01  0.140212D+02  0.154006D+02
      2   0.933668D+01  0.307307D+01  0.517475D+01 -0.182308D+02 -0.632224D+01
      3  -0.311429D+01  0.588804D+01  0.158421D+01  0.420959D+01 -0.907839D+01
      4  -0.358747D+01 -0.118326D+02  0.833878D+00 -0.623728D+00 -0.713760D+01
      5  -0.113864D+01  0.366214D+02  0.101387D+00  0.595200D+01 -0.970801D-01
      6  -0.606889D+01  0.160103D+00  0.633139D+01 -0.406754D+01  0.710150D+00
                56            57            58            59            60 
      1   0.155233D+00 -0.130719D+00  0.121245D+01 -0.737218D+01  0.547947D+00
      2   0.345371D+01  0.665874D-01  0.564115D+01  0.277693D+01 -0.734680D+00
      3  -0.360894D+01  0.641316D-01 -0.685359D+01  0.459525D+01  0.186733D+00
      4  -0.205314D+02  0.619122D+01 -0.303469D+02 -0.159604D+01  0.328938D+01
      5   0.673367D+01 -0.132253D+02  0.986883D+01  0.218174D+01 -0.176025D+02
      6   0.136190D+01 -0.133563D+01  0.400094D+01  0.781621D+01 -0.116268D+02
                61            62            63            64            65 
      1   0.115901D+02  0.687521D+01 -0.105379D+01 -0.420489D+02  0.626258D+01
      2   0.270142D+01  0.135206D+01  0.913902D+01  0.265075D+02 -0.779132D+01
      3  -0.142915D+02 -0.822728D+01 -0.808523D+01  0.155414D+02  0.152874D+01
      4   0.126483D+02  0.129241D+02 -0.227288D+02  0.117538D+02  0.142454D+02
      5  -0.197001D+02 -0.209269D+02 -0.201747D+02 -0.131329D+02 -0.577200D+01
      6  -0.114788D+02 -0.385760D+01 -0.538935D+01  0.294823D+01  0.445065D+01
                66            67            68            69            70 
      1  -0.113275D+02 -0.821937D+00 -0.194656D+01 -0.139986D+01 -0.111435D+02
      2   0.759654D+01 -0.378659D+01  0.156900D+02 -0.400292D+00  0.847794D+01
      3   0.373092D+01  0.460852D+01 -0.137435D+02  0.180015D+01  0.266559D+01
      4  -0.430219D+01  0.206012D+02 -0.178434D+02  0.745774D+01 -0.620655D+01
      5   0.563925D+01 -0.118261D+02  0.688641D+01  0.984289D+01  0.284096D+01
      6  -0.258155D+01  0.315504D+01 -0.878371D+01  0.197018D+01  0.241120D+01
                71            72            73            74            75 
      1   0.634331D+00 -0.840906D+00 -0.554209D+02 -0.171872D+02 -0.198986D+01
      2  -0.104940D+01 -0.729423D+01  0.229095D+02  0.160137D+02  0.400816D+01
      3   0.415066D+00  0.813513D+01  0.325114D+02  0.117351D+01 -0.201830D+01
      4   0.714035D+01  0.843518D+01 -0.192370D+02  0.164540D+02 -0.729938D+01
      5   0.783209D+01  0.223670D+02 -0.306419D+01 -0.456436D+01  0.116207D+02
      6  -0.119178D+01 -0.162100D+02 -0.470461D+01 -0.590347D+01  0.426490D+01
                76            77            78            79            80 
      1  -0.794250D+01  0.203130D+02  0.270671D+01 -0.119859D+02 -0.164023D+00
      2   0.747642D+01 -0.229267D+02  0.615430D+01  0.523434D+01  0.259457D+01
      3   0.466081D+00  0.261366D+01 -0.886100D+01  0.675159D+01 -0.243055D+01
      4   0.197801D+02 -0.596154D+01 -0.464520D+01 -0.162070D+02 -0.116308D+02
      5  -0.943899D+01 -0.746204D+01  0.160037D+02  0.146337D+02  0.175497D+02
      6  -0.624889D+01 -0.459749D+01  0.884262D+01  0.816767D+01  0.905698D+01
                81            82            83            84            85 
      1   0.121439D+02  0.109930D+01 -0.306577D+01 -0.193948D+01 -0.520212D+01
      2   0.887889D+01 -0.314522D+00  0.887124D+00  0.118727D+00  0.155458D+01
      3  -0.210228D+02 -0.784775D+00  0.217864D+01  0.182075D+01  0.364754D+01
      4   0.210021D+02 -0.340726D+01  0.661814D+00  0.267436D+01  0.635879D+01
      5   0.160462D+02 -0.223254D+01  0.198967D+01 -0.310429D+00  0.463207D+01
      6   0.255595D+00  0.163577D+01 -0.110043D+01  0.775137D+00 -0.251962D+01
                86            87            88            89            90 
      1  -0.325923D+01  0.451184D+00 -0.752735D+01 -0.105403D+01 -0.591641D+01
      2   0.452113D+01  0.189826D+01  0.333721D+01  0.270020D+01  0.241015D+01
      3  -0.126189D+01 -0.234945D+01  0.419014D+01 -0.164616D+01  0.350625D+01
      4  -0.107488D+02 -0.595451D+01  0.896385D+01 -0.120795D+02 -0.125869D+02
      5  -0.507839D+01 -0.135434D+02  0.686896D+01 -0.128203D+02 -0.236695D+02
      6   0.445163D+01  0.112026D+02 -0.357133D+01  0.107757D+02  0.159001D+02
                91            92            93            94            95 
      1   0.523164D+01  0.123452D+01  0.395225D+01  0.908068D+00 -0.248792D+01
      2  -0.654610D+01 -0.119925D+01 -0.427332D+01 -0.242756D+01 -0.156275D+00
      3   0.131447D+01 -0.352619D-01  0.321075D+00  0.151949D+01  0.264420D+01
      4   0.430521D+01  0.726760D+01  0.229781D+01  0.101222D+02  0.591554D+01
      5   0.918105D+01  0.236896D+01  0.126994D+02  0.353492D+01  0.598154D+01
      6   0.294676D+01  0.374151D-01  0.179063D+01  0.194080D+01  0.429964D+01
                96            97            98            99           100 
      1  -0.266022D+01  0.288865D+01 -0.322145D+01 -0.102449D+02  0.353531D+01
      2  -0.726990D+00 -0.859953D+01 -0.241685D+01 -0.144511D+02 -0.372378D+01
      3   0.338721D+01  0.571087D+01  0.563830D+01  0.246960D+02  0.188473D+00
      4   0.631754D+01  0.317167D+01  0.688587D+01  0.940323D+01  0.123129D+01
      5   0.971211D+01  0.185824D+02  0.892741D+01  0.311506D+02 -0.217066D+01
      6   0.967546D+01  0.489766D+01  0.680327D+01  0.111477D+02  0.757738D-01
               101           102           103           104           105 
      1   0.170920D+01 -0.594787D+01 -0.205337D+01 -0.410921D+01 -0.233576D+01
      2  -0.181218D+01  0.401066D+00  0.191488D+01  0.105685D+01 -0.563009D+01
      3   0.102983D+00  0.554681D+01  0.138492D+00  0.305236D+01  0.796585D+01
      4  -0.170065D+01 -0.443626D+00 -0.340600D+00 -0.263385D+01 -0.431862D+01
      5   0.828951D+00  0.212279D-01  0.414840D+01 -0.313566D+01 -0.994363D+01
      6   0.172621D+01 -0.136340D+01  0.125427D+00  0.207101D+01  0.273187D+01
               106           107           108           109           110 
      1  -0.609901D+01 -0.268893D+00 -0.167586D+02 -0.193855D+01  0.955562D+01
      2   0.418613D+01 -0.415467D+01 -0.170225D+02  0.443449D+01 -0.110074D+02
      3   0.191288D+01  0.442356D+01  0.337811D+02 -0.249594D+01  0.145175D+01
      4  -0.276565D+01 -0.697718D+01 -0.475564D+01  0.776213D+00 -0.440820D+01
      5   0.765225D+01 -0.242020D+01 -0.300093D+02  0.177648D+01  0.106108D+00
      6   0.731440D+00  0.397805D+01 -0.934291D+01  0.478430D-02  0.264378D+01
               111           112           113           114           115 
      1  -0.718446D+00  0.101579D+02 -0.270502D+02  0.248105D+01  0.135811D+01
      2  -0.124717D+00 -0.785783D+01  0.405958D+02 -0.122195D+01 -0.713389D+00
      3   0.843163D+00 -0.230003D+01 -0.135456D+02 -0.125910D+01 -0.644725D+00
      4   0.168136D+01  0.386958D+01  0.309482D+02 -0.305925D+01  0.230021D+01
      5  -0.218539D+01 -0.305641D+01 -0.839368D+00  0.432398D+01  0.163983D+00
      6  -0.264882D+01  0.769354D+00 -0.873968D+01  0.674268D+01 -0.162188D+01
               116           117           118           119           120 
      1   0.834246D+00 -0.524707D+01  0.795718D+02  0.112351D+02  0.239562D+01
      2   0.684652D+00  0.260995D+01 -0.372972D+02 -0.232287D+01  0.415095D+00
      3  -0.151890D+01  0.263712D+01 -0.422745D+02 -0.891219D+01 -0.281071D+01
      4   0.170131D+01  0.107250D+01  0.342031D+02  0.170702D+02 -0.145453D+00
      5   0.173408D+01 -0.125273D+01 -0.940103D+01 -0.201873D+01  0.109793D+02
      6   0.618803D+01 -0.994193D+00 -0.623310D+00 -0.166076D+01  0.392882D+01
               121           122           123           124           125 
      1   0.252472D+01  0.474157D+01  0.246125D+00  0.106370D+02  0.941328D+00
      2   0.143902D+01  0.889604D+00 -0.500166D+00 -0.455532D+01  0.234586D+00
      3  -0.396374D+01 -0.563117D+01  0.254041D+00 -0.608165D+01 -0.117591D+01
      4   0.125488D+02  0.760945D+01  0.466724D+00  0.477368D+01  0.382782D+01
      5   0.257382D+00 -0.173000D+00 -0.454282D+00  0.941032D+01  0.629730D+00
      6  -0.931873D+00 -0.530964D+00  0.896568D+00  0.314448D+01  0.959926D+00
               126           127           128           129           130 
      1   0.537070D+01  0.231499D+01  0.623943D+01  0.142097D+01  0.844214D+01
      2  -0.499099D+01  0.177749D+01 -0.930706D+01 -0.113973D+01 -0.112876D+02
      3  -0.379714D+00 -0.409248D+01  0.306763D+01 -0.281237D+00  0.284543D+01
      4   0.149823D+01 -0.130709D+02  0.643423D+01  0.276355D+00  0.581940D+01
      5   0.338572D+00  0.113322D+01  0.953490D+00  0.664107D+00  0.109238D+01
      6   0.536885D+00 -0.168557D+01 -0.409660D+00 -0.129596D+01 -0.101845D+01
               131           132           133           134           135 
      1  -0.238896D+02 -0.210569D+01  0.126822D+01 -0.151034D+01 -0.231853D+00
      2   0.324674D+02  0.177000D+01 -0.144963D+01  0.224167D+01  0.104980D+01
      3  -0.857779D+01  0.335692D+00  0.181412D+00 -0.731328D+00 -0.817947D+00
      4  -0.595135D+01 -0.471810D+00 -0.856796D+00 -0.262190D-01 -0.133949D+01
      5  -0.905366D+00 -0.108224D+01  0.874164D+00 -0.719494D+00 -0.151415D+00
      6   0.266010D+01  0.517251D+01 -0.680339D+00  0.123728D+01  0.203014D+00
               136           137           138           139           140 
      1   0.845699D+01  0.640110D+01  0.112212D+01  0.119420D+01 -0.996402D+01
      2   0.199886D+01  0.452214D+01  0.200460D+00  0.106218D+02  0.310548D+02
      3  -0.104558D+02 -0.109232D+02 -0.132258D+01 -0.118160D+02 -0.210907D+02
      4   0.223031D+02  0.256168D+02  0.529000D+01  0.277013D+02  0.470757D+02
      5   0.480375D+01  0.503953D+01  0.525531D+01  0.529598D+01  0.812878D+01
      6   0.359774D+01  0.415330D+01  0.311582D+01  0.512239D+01  0.104707D+02
               141           142           143           144           145 
      1  -0.201451D+01  0.106341D+01 -0.111229D+01 -0.822410D+00  0.996960D+02
      2   0.382802D+01  0.157372D+01  0.507971D+01  0.192097D+01 -0.571352D+02
      3  -0.181351D+01 -0.263713D+01 -0.396743D+01 -0.109856D+01 -0.425608D+02
      4   0.871405D+01  0.696243D+01  0.102683D+02  0.287897D+01  0.408742D+01
      5   0.575416D+01  0.203492D+01  0.227541D+01  0.180496D+01  0.121686D+02
      6   0.799540D+01  0.190562D+01  0.343275D+01  0.251171D+01 -0.183941D+01
               146           147           148           149           150 
      1   0.281988D+01  0.815931D+01  0.176706D+01  0.889278D+01  0.142642D+01
      2  -0.137089D+01 -0.561279D+01 -0.835558D+00 -0.434149D+01 -0.132727D+01
      3  -0.144899D+01 -0.254652D+01 -0.931500D+00 -0.455129D+01 -0.991555D-01
      4   0.858024D+01  0.146121D+00  0.144066D+02  0.117090D+01  0.130466D+01
      5   0.166942D+00  0.106033D+02  0.285776D+01  0.135691D+01  0.690703D+00
      6   0.561580D+00 -0.144578D-01  0.977831D+00 -0.135372D+00  0.167534D+01
               151           152           153           154           155 
      1   0.112438D+02  0.166259D+01  0.273583D+01  0.154422D+02 -0.101628D+02
      2  -0.657761D+01 -0.106645D+01 -0.157292D+01 -0.504964D+00 -0.352502D+01
      3  -0.466621D+01 -0.596139D+00 -0.116292D+01 -0.149372D+02  0.136878D+02
      4   0.297594D+01  0.116257D+01  0.555823D+00 -0.285375D+02  0.292927D+02
      5   0.211910D+01  0.341385D+00  0.191825D+01 -0.360258D+01  0.266969D+01
      6   0.399925D-01  0.601826D+00  0.417569D+00  0.123432D+01 -0.108184D+01
               156           157           158           159           160 
      1  -0.138029D+01 -0.574963D+01 -0.149511D+01 -0.608625D-01  0.514504D+00
      2   0.290568D+00 -0.880244D+01  0.230074D+02  0.118784D+01 -0.161723D+01
      3   0.108972D+01  0.145521D+02 -0.215122D+02 -0.112697D+01  0.110272D+01
      4   0.242636D+01  0.322937D+02 -0.465850D+02 -0.551248D+01  0.306709D+01
      5   0.494352D+01  0.466530D+01 -0.619512D+01 -0.522012D+01  0.141873D+01
      6  -0.273744D+01 -0.306053D+01  0.475199D+01  0.610531D+01 -0.107774D+01
               161           162           163           164           165 
      1  -0.126266D+01 -0.515540D+00 -0.475276D+01 -0.734251D+01 -0.295894D+01
      2   0.324751D+01  0.132215D+01  0.596411D+01  0.872199D+01  0.197694D+01
      3  -0.198484D+01 -0.806612D+00 -0.121135D+01 -0.137948D+01  0.982005D+00
      4  -0.515965D+01 -0.196298D+01  0.524852D+01  0.683372D+01  0.113839D+01
      5  -0.113857D+01 -0.590659D+00  0.294956D+00  0.799365D+00  0.174626D+01
      6   0.186995D+01  0.131607D+01  0.234374D+01  0.416426D+01  0.260302D+01
               166           167           168           169           170 
      1  -0.797154D+01 -0.278841D+02 -0.728821D+01 -0.224276D+01 -0.614704D+01
      2   0.998087D+01  0.355131D+02  0.638406D+01  0.244201D+01  0.722236D+01
      3  -0.200933D+01 -0.762901D+01  0.904151D+00 -0.199251D+00 -0.107532D+01
      4   0.585535D+01  0.209880D+01 -0.381331D-02  0.154528D+01  0.901939D+00
      5   0.563699D+00 -0.677833D+00  0.466588D+00  0.115370D+01  0.630472D+00
      6   0.326463D+01  0.114910D+02  0.794159D+01  0.130737D+01  0.407352D+01
               171           172           173           174           175 
      1  -0.252852D+01  0.686550D+02 -0.942985D+01  0.113229D+02 -0.196066D+01
      2   0.261153D+01 -0.373053D+02  0.359512D+01 -0.694608D+01 -0.690332D+00
      3  -0.830064D-01 -0.313498D+02  0.583473D+01 -0.437679D+01  0.265100D+01
      4   0.185224D+01 -0.257614D+02  0.109943D+02 -0.289426D+01  0.735388D+01
      5   0.105425D+01  0.170379D+02 -0.134332D+01  0.107129D+02  0.291112D+01
      6   0.277014D+01 -0.427153D+01  0.490067D+00 -0.288642D+01  0.157587D+00
               176           177           178           179           180 
      1   0.222914D+01  0.313639D+01  0.180865D+02  0.860481D+00  0.484159D+01
      2   0.243795D+00 -0.259346D+01 -0.121561D+02 -0.659336D+00 -0.406997D+01
      3  -0.247293D+01 -0.542936D+00 -0.593045D+01 -0.201144D+00 -0.771618D+00
      4  -0.215353D+01  0.915111D+00 -0.411519D+01  0.191957D+01 -0.264987D+01
      5   0.171948D+01  0.732418D+00  0.107555D+02 -0.179860D+01  0.519654D+01
      6  -0.519468D+00  0.124920D+01 -0.169515D+01  0.171350D+01 -0.929643D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x         -0.448079D+00     -0.113890D+01     -0.379898D+01
   y         -0.269225D+00     -0.684303D+00     -0.228259D+01
   z          0.251131D+00      0.638311D+00      0.212918D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.126730D+03      0.187794D+02      0.208949D+02
   yx         0.903546D+00      0.133892D+00      0.148975D+00
   yy         0.104140D+03      0.154319D+02      0.171703D+02
   zx         0.281518D+01      0.417167D+00      0.464160D+00
   zy         0.483741D+01      0.716830D+00      0.797581D+00
   zz         0.670564D+02      0.993673D+01      0.110561D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108039D+03      0.160097D+02      0.178131D+02
   aniso      0.534026D+02      0.791345D+01      0.880490D+01
   xx         0.136072D+03      0.201638D+02      0.224353D+02
   yx         0.823255D+00      0.121994D+00      0.135736D+00
   yy         0.112437D+03      0.166614D+02      0.185383D+02
   zx         0.225005D+01      0.333423D+00      0.370983D+00
   zy         0.404126D+01      0.598853D+00      0.666314D+00
   zz         0.756063D+02      0.112037D+02      0.124658D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.53607466         -2.91565787         -2.07048292
     6          0.80927742         -2.47769656         -0.14723813
     6         -0.41786881         -0.15140609          0.08040782
     6          0.12047473          1.71930472         -1.68994411
     6          1.86242815          1.29147708         -3.61325982
     6          3.08052437         -1.02221775         -3.81064219
     6         -2.28067951          0.26781541          2.22650307
     7         -3.53850372          2.72350695          2.00979222
     6         -1.00691239         -0.12238757          4.80789847
     1         -2.31712068          4.13597487          2.45183943
     1         -3.76994216         -1.15498740          2.02586317
     1          0.49266060          1.27239073          5.07259673
     1         -0.16500461         -1.99494953          4.98796836
     1         -2.38650853          0.10758568          6.32565263
     1         -0.86785450          3.50307433         -1.59509886
     1          2.25297917          2.77345077         -4.96906539
     1          4.42973347         -1.35680704         -5.31103090
     1          3.45534572         -4.73780743         -2.21482921
     1          0.39850037         -3.97621185          1.18553158
     1         -4.97315233          2.82834855          3.27258364

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.579935D+00      0.147405D+01      0.491689D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.900945D+02      0.133506D+02      0.148546D+02
   yx        -0.132642D+02     -0.196555D+01     -0.218697D+01
   yy         0.100341D+03      0.148689D+02      0.165439D+02
   zx        -0.258890D+02     -0.383636D+01     -0.426853D+01
   zy        -0.415201D+01     -0.615264D+00     -0.684573D+00
   zz         0.107491D+03      0.159285D+02      0.177229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108039D+03      0.160097D+02      0.178131D+02
   aniso      0.534026D+02      0.791345D+01      0.880490D+01
   xx         0.987203D+02      0.146288D+02      0.162768D+02
   yx        -0.138448D+02     -0.205159D+01     -0.228270D+01
   yy         0.108295D+03      0.160477D+02      0.178554D+02
   zx        -0.257030D+02     -0.380879D+01     -0.423785D+01
   zy        -0.371300D+01     -0.550210D+00     -0.612191D+00
   zz         0.117100D+03      0.173525D+02      0.193072D+02

 ----------------------------------------------------------------------
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 00000856,0.00000971,0.00000675,-0.00000218,-0.00001795,0.00001437,0.00
 000223,0.00000375,-0.00002065,-0.00000201,-0.00001355,0.00002337,0.000
 00312,0.00000417,-0.00001303,0.00000661,0.00000021,-0.00000425,0.00000
 416,0.00000173,0.00000145,-0.00000830,0.00000300,-0.00000118,0.0000016
 3,-0.00000138,0.00000024,-0.00000192,-0.00000207,-0.00000236,0.0000005
 0,-0.00000090,-0.00000022,-0.00000095,-0.00000124,0.00000324,0.0000030
 4,0.00000119,0.00000009,0.00000009,0.00000072,0.00000056,-0.00000045,-
 0.00000121,-0.00000166,0.00000276,0.00000276,-0.00000071,0.00000026,0.
 00000619,0.00000228,-0.00000273\\\@


 YE HAVE SOWN MUCH, AND BRING IN LITTLE.
 YE EAT, BUT YE HAVE NOT ENOUGH.
 YE DRINK, BUT YE ARE NOT FILLED WITH DRINK.
 YE CLOTHE YOU, BUT THERE IS NONE WARM.
 AND HE THAT EARNETH WAGES EARNETH WAGES TO PUT
 IT INTO A BAG WITH HOLES.
                                     HAGGAI I,6
 Job cpu time:       0 days  6 hours 43 minutes 40.3 seconds.
 Elapsed time:       0 days  0 hours 50 minutes 32.4 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:37:41 2021.
